Organoheterocyclic compounds
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2-Chlorobenzoxazole, 98%
CAS: 615-18-9 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.57 MDL Number: MFCD00005766 InChI Key: BBVQDWDBTWSGHQ-UHFFFAOYSA-N Synonym: 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole PubChem CID: 11986 IUPAC Name: 2-chloro-1,3-benzoxazole SMILES: ClC1=NC2=CC=CC=C2O1
| PubChem CID | 11986 |
|---|---|
| CAS | 615-18-9 |
| Molecular Weight (g/mol) | 153.57 |
| MDL Number | MFCD00005766 |
| SMILES | ClC1=NC2=CC=CC=C2O1 |
| Synonym | 2-chlorobenzoxazole,benzoxazole, 2-chloro,2-chlorobenzo d oxazole,benzoxazole, chloro,chlorobenzoxazole,2-chlorobenzoxazol,2-chlorobenzooxazole,2-chloro benzoxazole,2-chloro-benzoxazole,2-chloro-benzooxazole |
| IUPAC Name | 2-chloro-1,3-benzoxazole |
| InChI Key | BBVQDWDBTWSGHQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO |
1-(4-Methoxyphenyl)piperazine, 97%
CAS: 38212-30-5 Molecular Formula: C11H16N2O Molecular Weight (g/mol): 192.26 MDL Number: MFCD00040736 InChI Key: MRDGZSKYFPGAKP-UHFFFAOYSA-N Synonym: 1-4-methoxyphenyl piperazine,n-4-methoxyphenyl piperazine,n-p-methoxyphenyl piperazine,piperazine, 1-4-methoxyphenyl,unii-p385m92gyg,4-methoxyphenylpiperazine,1-4-anisyl piperazine,chembl59517,1-4-methoxyphenyl-piperazine,1-4-methoxy-phenyl-piperazine PubChem CID: 269722 IUPAC Name: 1-(4-methoxyphenyl)piperazine SMILES: COC1=CC=C(C=C1)N1CCNCC1
| PubChem CID | 269722 |
|---|---|
| CAS | 38212-30-5 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD00040736 |
| SMILES | COC1=CC=C(C=C1)N1CCNCC1 |
| Synonym | 1-4-methoxyphenyl piperazine,n-4-methoxyphenyl piperazine,n-p-methoxyphenyl piperazine,piperazine, 1-4-methoxyphenyl,unii-p385m92gyg,4-methoxyphenylpiperazine,1-4-anisyl piperazine,chembl59517,1-4-methoxyphenyl-piperazine,1-4-methoxy-phenyl-piperazine |
| IUPAC Name | 1-(4-methoxyphenyl)piperazine |
| InChI Key | MRDGZSKYFPGAKP-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2O |
1-Benzyloxycarbonyl-3-piperidone, 97+%
CAS: 61995-20-8 Molecular Formula: C13H15NO3 Molecular Weight (g/mol): 233.27 MDL Number: MFCD03001723 InChI Key: ALXLNFWWLXCXSK-UHFFFAOYSA-N Synonym: 1-n-cbz-3-piperidone,1-cbz-3-piperidinone,1-cbz-3-piperidone,n-cbz-3-piperidone,n-benzyloxycarbonyl-3-piperidone,1-piperidinecarboxylic acid, 3-oxo-, phenylmethyl ester,3-oxo-piperidine-1-carboxylic acid benzyl ester,1-benzyloxycarbonyl-3-piperidone,3-oxopiperidine-1-carboxylic acid benzyl ester,pubchem24305 PubChem CID: 1514169 IUPAC Name: benzyl 3-oxopiperidine-1-carboxylate SMILES: O=C(OCC1=CC=CC=C1)N1CCCC(=O)C1
| PubChem CID | 1514169 |
|---|---|
| CAS | 61995-20-8 |
| Molecular Weight (g/mol) | 233.27 |
| MDL Number | MFCD03001723 |
| SMILES | O=C(OCC1=CC=CC=C1)N1CCCC(=O)C1 |
| Synonym | 1-n-cbz-3-piperidone,1-cbz-3-piperidinone,1-cbz-3-piperidone,n-cbz-3-piperidone,n-benzyloxycarbonyl-3-piperidone,1-piperidinecarboxylic acid, 3-oxo-, phenylmethyl ester,3-oxo-piperidine-1-carboxylic acid benzyl ester,1-benzyloxycarbonyl-3-piperidone,3-oxopiperidine-1-carboxylic acid benzyl ester,pubchem24305 |
| IUPAC Name | benzyl 3-oxopiperidine-1-carboxylate |
| InChI Key | ALXLNFWWLXCXSK-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO3 |
Tryptamine hydrochloride, 98+%
CAS: 343-94-2 Molecular Formula: C10H13ClN2 Molecular Weight (g/mol): 196.678 MDL Number: MFCD00012682 InChI Key: KDFBGNBTTMPNIG-UHFFFAOYSA-N Synonym: tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride PubChem CID: 67652 IUPAC Name: 2-(1H-indol-3-yl)ethanamine;hydrochloride SMILES: C1=CC=C2C(=C1)C(=CN2)CCN.Cl
| PubChem CID | 67652 |
|---|---|
| CAS | 343-94-2 |
| Molecular Weight (g/mol) | 196.678 |
| MDL Number | MFCD00012682 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN.Cl |
| Synonym | tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride |
| IUPAC Name | 2-(1H-indol-3-yl)ethanamine;hydrochloride |
| InChI Key | KDFBGNBTTMPNIG-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClN2 |
2-Amino-5-picoline, 99%
CAS: 1603-41-4 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006328 InChI Key: CMBSSVKZOPZBKW-UHFFFAOYSA-N Synonym: 2-amino-5-methylpyridine,2-amino-5-picoline,6-amino-3-picoline,2-pyridinamine, 5-methyl,5-methylpyridin-2-ylamine,3-picoline, 6-amino,5-methyl-2-pyridinamine,5-methyl-2-pyridylamine,5-methyl-2-aminopyridine,2-amino-5-methyl pyridine PubChem CID: 15348 IUPAC Name: 5-methylpyridin-2-amine SMILES: CC1=CN=C(C=C1)N
| PubChem CID | 15348 |
|---|---|
| CAS | 1603-41-4 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00006328 |
| SMILES | CC1=CN=C(C=C1)N |
| Synonym | 2-amino-5-methylpyridine,2-amino-5-picoline,6-amino-3-picoline,2-pyridinamine, 5-methyl,5-methylpyridin-2-ylamine,3-picoline, 6-amino,5-methyl-2-pyridinamine,5-methyl-2-pyridylamine,5-methyl-2-aminopyridine,2-amino-5-methyl pyridine |
| IUPAC Name | 5-methylpyridin-2-amine |
| InChI Key | CMBSSVKZOPZBKW-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
5-(2-Chloroethyl)-1,3-benzodioxole, ≥97%, Thermo Scientific™
CAS: 23808-46-0 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD08435910 InChI Key: YFVIYUCTLBXCMJ-UHFFFAOYSA-N Synonym: 5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene PubChem CID: 15815969 IUPAC Name: 5-(2-chloroethyl)-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)CCCl
| PubChem CID | 15815969 |
|---|---|
| CAS | 23808-46-0 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD08435910 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CCCl |
| Synonym | 5-2-chloroethyl-1,3-benzodioxole,5-2-chloroethyl-2h-1,3-benzodioxole,1,3-benzodioxole,5-2-chloroethyl,4-2-chloroethyl-1,2-methylenedioxybenzene,5-2-chloroethyl-2h-benzo d 1,3-dioxolene |
| IUPAC Name | 5-(2-chloroethyl)-1,3-benzodioxole |
| InChI Key | YFVIYUCTLBXCMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
2-(3-Butynyloxy)tetrahydro-2H-pyran, 97%
CAS: 40365-61-5 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00012352 InChI Key: ZQZSNKJFOFAJQX-UHFFFAOYSA-N Synonym: 2-but-3-yn-1-yloxy tetrahydro-2h-pyran,2-3-butynyloxy tetrahydro-2h-pyran,2h-pyran, 2-3-butynyloxy tetrahydro,2-3-butynyloxy tetrahydro-2 h-pyran,1-tetrahydropyran-2-yloxy-3-butyne,2-but-3-ynoxytetrahydropyran,tetrahydropyranyloxy-3-butyne,2-but-3-yn-1-yloxy oxane,2-3-butynyloxy tetrahydropyran,4-tetrahydropyranyl oxy butyne PubChem CID: 142440 IUPAC Name: 2-but-3-ynoxyoxane SMILES: C#CCCOC1CCCCO1
| PubChem CID | 142440 |
|---|---|
| CAS | 40365-61-5 |
| Molecular Weight (g/mol) | 154.21 |
| MDL Number | MFCD00012352 |
| SMILES | C#CCCOC1CCCCO1 |
| Synonym | 2-but-3-yn-1-yloxy tetrahydro-2h-pyran,2-3-butynyloxy tetrahydro-2h-pyran,2h-pyran, 2-3-butynyloxy tetrahydro,2-3-butynyloxy tetrahydro-2 h-pyran,1-tetrahydropyran-2-yloxy-3-butyne,2-but-3-ynoxytetrahydropyran,tetrahydropyranyloxy-3-butyne,2-but-3-yn-1-yloxy oxane,2-3-butynyloxy tetrahydropyran,4-tetrahydropyranyl oxy butyne |
| IUPAC Name | 2-but-3-ynoxyoxane |
| InChI Key | ZQZSNKJFOFAJQX-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
5-(Chloromethyl)uracil, 97%
CAS: 3590-48-5 Molecular Formula: C5H5ClN2O2 Molecular Weight (g/mol): 160.56 MDL Number: MFCD00218445 InChI Key: UCDUBKRXOPMNGH-UHFFFAOYSA-N Synonym: 5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg PubChem CID: 236125 SMILES: ClCC1=CNC(=O)NC1=O
| PubChem CID | 236125 |
|---|---|
| CAS | 3590-48-5 |
| Molecular Weight (g/mol) | 160.56 |
| MDL Number | MFCD00218445 |
| SMILES | ClCC1=CNC(=O)NC1=O |
| Synonym | 5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg |
| InChI Key | UCDUBKRXOPMNGH-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O2 |
6-Chloro-7-azaindole, 95%
CAS: 55052-27-2 Molecular Formula: C7H5ClN2 Molecular Weight (g/mol): 152.58 MDL Number: MFCD06659666 InChI Key: DSCOSIUAQUDGJM-UHFFFAOYSA-N Synonym: 6-chloro-1h-pyrrolo 2,3-b pyridine,6-chloro-7-azaindole,1h-pyrrolo 2,3-b pyridine, 6-chloro,7-aza-6-chloroindole,pubchem18673,ksc494a8j,6-chloranyl-1h-pyrrolo 2,3-b pyridine PubChem CID: 11344118 IUPAC Name: 6-chloro-1H-pyrrolo[2,3-b]pyridine SMILES: ClC1=CC=C2C=CNC2=N1
| PubChem CID | 11344118 |
|---|---|
| CAS | 55052-27-2 |
| Molecular Weight (g/mol) | 152.58 |
| MDL Number | MFCD06659666 |
| SMILES | ClC1=CC=C2C=CNC2=N1 |
| Synonym | 6-chloro-1h-pyrrolo 2,3-b pyridine,6-chloro-7-azaindole,1h-pyrrolo 2,3-b pyridine, 6-chloro,7-aza-6-chloroindole,pubchem18673,ksc494a8j,6-chloranyl-1h-pyrrolo 2,3-b pyridine |
| IUPAC Name | 6-chloro-1H-pyrrolo[2,3-b]pyridine |
| InChI Key | DSCOSIUAQUDGJM-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClN2 |
4-(6-Amino-3-pyridyl)-1-Boc-piperazine, 97%
CAS: 571188-59-5 Molecular Formula: C14H22N4O2 Molecular Weight (g/mol): 278.36 MDL Number: MFCD11594962 InChI Key: RMULRXHUNOVPEI-UHFFFAOYSA-N PubChem CID: 11737525 IUPAC Name: tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1
| PubChem CID | 11737525 |
|---|---|
| CAS | 571188-59-5 |
| Molecular Weight (g/mol) | 278.36 |
| MDL Number | MFCD11594962 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1 |
| IUPAC Name | tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate |
| InChI Key | RMULRXHUNOVPEI-UHFFFAOYSA-N |
| Molecular Formula | C14H22N4O2 |
Allyl glycidyl ether, 97%
CAS: 106-92-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00005143 InChI Key: LSWYGACWGAICNM-UHFFFAOYSA-N Synonym: allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi PubChem CID: 7838 IUPAC Name: 2-(prop-2-enoxymethyl)oxirane SMILES: C=CCOCC1CO1
| PubChem CID | 7838 |
|---|---|
| CAS | 106-92-3 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00005143 |
| SMILES | C=CCOCC1CO1 |
| Synonym | allyl glycidyl ether,glycidyl allyl ether,allylglycidaether,oxirane, 2-propenyloxy methyl,allyl 2,3-epoxypropyl ether,allil-glicidil-etere,neoallyl g,1,2-epoxy-3-allyloxypropane,1-allyloxy-2,3-epoxypropane,santolin xi |
| IUPAC Name | 2-(prop-2-enoxymethyl)oxirane |
| InChI Key | LSWYGACWGAICNM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Methyl 6-chloronicotinate, 98%
CAS: 73781-91-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00023420 InChI Key: RMEDXVIWDFLGES-UHFFFAOYSA-N PubChem CID: 254249 IUPAC Name: methyl 6-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CN=C(C=C1)Cl
| PubChem CID | 254249 |
|---|---|
| CAS | 73781-91-6 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00023420 |
| SMILES | COC(=O)C1=CN=C(C=C1)Cl |
| IUPAC Name | methyl 6-chloropyridine-3-carboxylate |
| InChI Key | RMEDXVIWDFLGES-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Thiophene-2-carboxaldoxime, 98+%
CAS: 29683-84-9 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.16 MDL Number: MFCD00022509 InChI Key: GASLBPLHYRZLLT-GQCTYLIASA-N Synonym: thiophene-2-carbaldehyde oxime,2-thiophenecarboxaldehyde, oxime,thiophene-2-carboxaldoxime,thiophene-2-aldoxime,2-thiophenealdehyde oxime,e-n-thiophen-2-ylmethylidene hydroxylamine,e-thiophene-2-carbaldehyde oxime,thiophen-2-aldoxim,pubchem14034,2-formylthiophene oxime PubChem CID: 6876527 IUPAC Name: (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine SMILES: O\N=C\C1=CC=CS1
| PubChem CID | 6876527 |
|---|---|
| CAS | 29683-84-9 |
| Molecular Weight (g/mol) | 127.16 |
| MDL Number | MFCD00022509 |
| SMILES | O\N=C\C1=CC=CS1 |
| Synonym | thiophene-2-carbaldehyde oxime,2-thiophenecarboxaldehyde, oxime,thiophene-2-carboxaldoxime,thiophene-2-aldoxime,2-thiophenealdehyde oxime,e-n-thiophen-2-ylmethylidene hydroxylamine,e-thiophene-2-carbaldehyde oxime,thiophen-2-aldoxim,pubchem14034,2-formylthiophene oxime |
| IUPAC Name | (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine |
| InChI Key | GASLBPLHYRZLLT-GQCTYLIASA-N |
| Molecular Formula | C5H5NOS |
2-Amino-4-(2-pyridyl)thiazole, 97%, Thermo Scientific Chemicals
CAS: 30235-26-8 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00460417 InChI Key: BLKHMTAXNXLDJP-UHFFFAOYSA-N Synonym: 4-pyridin-2-yl thiazol-2-amine,4-pyridin-2-yl-thiazol-2-ylamine,4-pyridin-2-yl-1,3-thiazol-2-amine,2-amino-4-2-pyridyl thiazole,2-thiazolamine, 4-2-pyridinyl,4-2-pyridinyl-1,3-thiazol-2-amine,4-2-pyridinyl-2-thiazolamine,4-2-pyridinyl thiazol-2-amine,4-2-pyridyl-1,3-thiazole-2-ylamine,4-pyridin-2-yl-thiazole-2-ylamine PubChem CID: 1092459 IUPAC Name: 4-pyridin-2-yl-1,3-thiazol-2-amine SMILES: C1=CC=NC(=C1)C2=CSC(=N2)N
| PubChem CID | 1092459 |
|---|---|
| CAS | 30235-26-8 |
| Molecular Weight (g/mol) | 177.225 |
| MDL Number | MFCD00460417 |
| SMILES | C1=CC=NC(=C1)C2=CSC(=N2)N |
| Synonym | 4-pyridin-2-yl thiazol-2-amine,4-pyridin-2-yl-thiazol-2-ylamine,4-pyridin-2-yl-1,3-thiazol-2-amine,2-amino-4-2-pyridyl thiazole,2-thiazolamine, 4-2-pyridinyl,4-2-pyridinyl-1,3-thiazol-2-amine,4-2-pyridinyl-2-thiazolamine,4-2-pyridinyl thiazol-2-amine,4-2-pyridyl-1,3-thiazole-2-ylamine,4-pyridin-2-yl-thiazole-2-ylamine |
| IUPAC Name | 4-pyridin-2-yl-1,3-thiazol-2-amine |
| InChI Key | BLKHMTAXNXLDJP-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3S |
1,1'-Thiocarbonyldiimidazole, tech 90%
CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: S=C(N1C=CN=C1)N1C=CN=C1
| PubChem CID | 80264 |
|---|---|
| CAS | 6160-65-2 |
| Molecular Weight (g/mol) | 178.21 |
| MDL Number | MFCD00005289 |
| SMILES | S=C(N1C=CN=C1)N1C=CN=C1 |
| Synonym | 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole |
| IUPAC Name | di(imidazol-1-yl)methanethione |
| InChI Key | RAFNCPHFRHZCPS-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4S |