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Benzoxadiazoles

Organic heterocyclic compounds that consist of benzene fused with an oxadiazole; oxadiazoles are a five-membered ring with two carbon atoms, one oxygen atom, and two nitrogen atoms.
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Keyword Search:
31 – 45 of 151 results
31

(R)-(-)-NBD-Py-NCS 98.0+%, TCI America™
SDP

CAS: 163927-29-5 Molecular Formula: C11H9N5O3S Molecular Weight (g/mol): 291.285 MDL Number: MFCD02093434 InChI Key: CHKCHHTYBXOUKH-SSDOTTSWSA-N Synonym: (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 16218431 IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole SMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

PubChem CID 16218431
CAS 163927-29-5
Molecular Weight (g/mol) 291.285
MDL Number MFCD02093434
SMILES C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
Synonym (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (R)-(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole
IUPAC Name 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole
InChI Key CHKCHHTYBXOUKH-SSDOTTSWSA-N
Molecular Formula C11H9N5O3S
32

NBD-F (=4-Fluoro-7-nitro-2,1,3-benzoxadiazole) 99.0+%, TCI America™
SDP

CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.098 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]

PubChem CID 122123
CAS 29270-56-2
Molecular Weight (g/mol) 183.098
MDL Number MFCD00010196
SMILES C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole
IUPAC Name 4-fluoro-7-nitro-2,1,3-benzoxadiazole
InChI Key PGZIDERTDJHJFY-UHFFFAOYSA-N
Molecular Formula C6H2FN3O3
33

4-Fluoro-2,1,3-benzoxadiazole 98.0+%, TCI America™
SDP

CAS: 29270-55-1 Molecular Formula: C6H3FN2O Molecular Weight (g/mol): 138.101 MDL Number: MFCD03425566 InChI Key: QKZQJBBZKDVVFI-UHFFFAOYSA-N Synonym: 4-Fluorobenzofurazan PubChem CID: 4607136 IUPAC Name: 4-fluoro-2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C(=C1)F

PubChem CID 4607136
CAS 29270-55-1
Molecular Weight (g/mol) 138.101
MDL Number MFCD03425566
SMILES C1=CC2=NON=C2C(=C1)F
Synonym 4-Fluorobenzofurazan
IUPAC Name 4-fluoro-2,1,3-benzoxadiazole
InChI Key QKZQJBBZKDVVFI-UHFFFAOYSA-N
Molecular Formula C6H3FN2O
34

(S)-(+)-DBD-APy 98.0+%, TCI America™
SDP

CAS: 143112-50-9 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191378 InChI Key: SZJGHUNJZRXXCA-UHFFFAOYNA-N Synonym: (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682839 IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(N2CCC(N)C2)C2=NON=C12

PubChem CID 15682839
CAS 143112-50-9
Molecular Weight (g/mol) 311.36
MDL Number MFCD00191378
SMILES CN(C)S(=O)(=O)C1=CC=C(N2CCC(N)C2)C2=NON=C12
Synonym (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key SZJGHUNJZRXXCA-UHFFFAOYNA-N
Molecular Formula C12H17N5O3S
35

(S)-(+)-DBD-Py-NCS 98.0+%, TCI America™
SDP

CAS: 163927-32-0 Molecular Formula: C13H15N5O3S2 Molecular Weight (g/mol): 353.415 MDL Number: MFCD00671494 InChI Key: YMXYIIXTKUQWPC-VIFPVBQESA-N Synonym: (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 16218753 IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

PubChem CID 16218753
CAS 163927-32-0
Molecular Weight (g/mol) 353.415
MDL Number MFCD00671494
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S
Synonym (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key YMXYIIXTKUQWPC-VIFPVBQESA-N
Molecular Formula C13H15N5O3S2
36

Isradipine 98.0+%, TCI America™
SDP

CAS: 75695-93-1 Molecular Formula: C19H21N3O5 Molecular Weight (g/mol): 371.39 MDL Number: MFCD00153820 InChI Key: HMJIYCCIJYRONP-UHFFFAOYNA-N Synonym: isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine PubChem CID: 3784 IUPAC Name: 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C

PubChem CID 3784
CAS 75695-93-1
Molecular Weight (g/mol) 371.39
MDL Number MFCD00153820
SMILES COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C
Synonym isradipine,dynacirc,isradipin,lomir,isrodipine,prescal,dynacirc cr,esradin,clivoten,dynacrine
IUPAC Name 3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI Key HMJIYCCIJYRONP-UHFFFAOYNA-N
Molecular Formula C19H21N3O5
37

4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole 97.0+%, TCI America™
SDP

CAS: 142246-48-8 Molecular Formula: C6H2Cl2N2O3S Molecular Weight (g/mol): 253.053 MDL Number: MFCD00191405 InChI Key: BPPRLMZEVZSIIJ-UHFFFAOYSA-N Synonym: 4-Chloro-2,1,3-benzoxadiazole-7-sulfonyl Chloride, 4-Chloro-7-chlorosulfonylbenzofurazan PubChem CID: 612515 IUPAC Name: 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride SMILES: C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl

PubChem CID 612515
CAS 142246-48-8
Molecular Weight (g/mol) 253.053
MDL Number MFCD00191405
SMILES C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl
Synonym 4-Chloro-2,1,3-benzoxadiazole-7-sulfonyl Chloride, 4-Chloro-7-chlorosulfonylbenzofurazan
IUPAC Name 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride
InChI Key BPPRLMZEVZSIIJ-UHFFFAOYSA-N
Molecular Formula C6H2Cl2N2O3S
38

DBD-ED [=4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole], TCI America™
SDP

CAS: 189373-41-9 Molecular Formula: C10H15N5O3S Molecular Weight (g/mol): 285.322 MDL Number: MFCD01321129 InChI Key: RDMBHRPODMXKHT-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole PubChem CID: 4125780 IUPAC Name: 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN

PubChem CID 4125780
CAS 189373-41-9
Molecular Weight (g/mol) 285.322
MDL Number MFCD01321129
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole
IUPAC Name 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key RDMBHRPODMXKHT-UHFFFAOYSA-N
Molecular Formula C10H15N5O3S
39

AABD-SH (=4-Acetamido-7-mercapto-2,1,3-benzoxadiazole) 95.0+%, TCI America™
SDP

CAS: 254973-02-9 Molecular Formula: C8H7N3O2S Molecular Weight (g/mol): 209.223 MDL Number: MFCD04038408 InChI Key: JPARFDNKICYVCE-UHFFFAOYSA-N Synonym: 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole PubChem CID: 44630078 IUPAC Name: N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide SMILES: CC(=O)NC1=C2C(=NON2)C(=S)C=C1

PubChem CID 44630078
CAS 254973-02-9
Molecular Weight (g/mol) 209.223
MDL Number MFCD04038408
SMILES CC(=O)NC1=C2C(=NON2)C(=S)C=C1
Synonym 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole
IUPAC Name N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide
InChI Key JPARFDNKICYVCE-UHFFFAOYSA-N
Molecular Formula C8H7N3O2S
40

DBD-F 98.0+%, TCI America™
SDP

CAS: 98358-90-8 Molecular Formula: C8H8FN3O3S Molecular Weight (g/mol): 245.23 MDL Number: MFCD00143356 InChI Key: YZWANFXENNWOOR-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole, 7-Fluoro-4-(N,N-dimethylaminosulfonyl)benzofurazan, 7-Fluoro-4-(N,N-dimethylsulfamoyl)-2,1,3-benzoxadiazole PubChem CID: 126917 IUPAC Name: 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(F)C2=NON=C12

PubChem CID 126917
CAS 98358-90-8
Molecular Weight (g/mol) 245.23
MDL Number MFCD00143356
SMILES CN(C)S(=O)(=O)C1=CC=C(F)C2=NON=C12
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole, 7-Fluoro-4-(N,N-dimethylaminosulfonyl)benzofurazan, 7-Fluoro-4-(N,N-dimethylsulfamoyl)-2,1,3-benzoxadiazole
IUPAC Name 7-fluoro-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key YZWANFXENNWOOR-UHFFFAOYSA-N
Molecular Formula C8H8FN3O3S
41

(R)-(-)-DBD-Py-NCS 98.0+%, TCI America™
SDP

CAS: 163927-31-9 Molecular Formula: C13H15N5O3S2 Molecular Weight (g/mol): 353.415 MDL Number: MFCD00671493 InChI Key: YMXYIIXTKUQWPC-SECBINFHSA-N Synonym: (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 16217521 IUPAC Name: 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

PubChem CID 16217521
CAS 163927-31-9
Molecular Weight (g/mol) 353.415
MDL Number MFCD00671493
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S
Synonym (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-[(3R)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key YMXYIIXTKUQWPC-SECBINFHSA-N
Molecular Formula C13H15N5O3S2
42

DBD-H 98.0+%, TCI America™
SDP

CAS: 131467-86-2 Molecular Formula: C8H11N5O3S Molecular Weight (g/mol): 257.268 MDL Number: MFCD00191376 InChI Key: VPDDJYGQJSTHTA-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-hydrazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole PubChem CID: 131382 IUPAC Name: 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN

PubChem CID 131382
CAS 131467-86-2
Molecular Weight (g/mol) 257.268
MDL Number MFCD00191376
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NN
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-hydrazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-hydrazino-2,1,3-benzoxadiazole
IUPAC Name 7-hydrazinyl-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key VPDDJYGQJSTHTA-UHFFFAOYSA-N
Molecular Formula C8H11N5O3S
43

DBD-NCS [=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole], TCI America™
SDP

CAS: 147611-81-2 Molecular Formula: C9H8N4O3S2 Molecular Weight (g/mol): 284.308 MDL Number: MFCD03844763 InChI Key: SUOZAUUDBKHLHQ-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanatobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole PubChem CID: 127043 IUPAC Name: 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N=C=S

PubChem CID 127043
CAS 147611-81-2
Molecular Weight (g/mol) 284.308
MDL Number MFCD03844763
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N=C=S
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanatobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole
IUPAC Name 7-isothiocyanato-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key SUOZAUUDBKHLHQ-UHFFFAOYSA-N
Molecular Formula C9H8N4O3S2
44

(S)-(+)-NBD-APy [=(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole], TCI America™
SDP

CAS: 143112-52-1 Molecular Formula: C10H11N5O3 Molecular Weight (g/mol): 249.23 MDL Number: MFCD00191509 InChI Key: QSDDQXROWUJAJX-UHFFFAOYNA-N Synonym: (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682841 IUPAC Name: 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine SMILES: NC1CCN(C1)C1=CC=C(C2=NON=C12)[N+]([O-])=O

PubChem CID 15682841
CAS 143112-52-1
Molecular Weight (g/mol) 249.23
MDL Number MFCD00191509
SMILES NC1CCN(C1)C1=CC=C(C2=NON=C12)[N+]([O-])=O
Synonym (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine
InChI Key QSDDQXROWUJAJX-UHFFFAOYNA-N
Molecular Formula C10H11N5O3
45

Succinimidyl 6-[[7-(N,N-Dimethylaminosulfonyl)-2,1,3-benzoxadiazol-4-yl]amino]hexanoate 98.0+%, TCI America™
SDP

CAS: 1858255-08-9 Molecular Formula: C18H23N5O7S Molecular Weight (g/mol): 453.47 InChI Key: MMPAJYBUTABRFE-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-[5-(succinimidyloxycarbonyl)pentylamino]-2,1,3-benzoxadiazole PubChem CID: 44629781 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]hexanoate SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)ON3C(=O)CCC3=O

PubChem CID 44629781
CAS 1858255-08-9
Molecular Weight (g/mol) 453.47
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCCCCC(=O)ON3C(=O)CCC3=O
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-[5-(succinimidyloxycarbonyl)pentylamino]-2,1,3-benzoxadiazole
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 6-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]amino]hexanoate
InChI Key MMPAJYBUTABRFE-UHFFFAOYSA-N
Molecular Formula C18H23N5O7S