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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:
1 – 15 of 30 results
1

NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) 98.0+%, TCI America™
SDP

CAS: 131467-87-3 Molecular Formula: C6H9N7O3 Molecular Weight (g/mol): 227.18 MDL Number: MFCD00191508 InChI Key: BLIOAKMSUDUCKB-UHFFFAOYSA-N Synonym: 4-Hydrazino-7-nitrobenzofurazan Hydrazine, 4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine PubChem CID: 16218437 IUPAC Name: 4-hydrazinyl-7-nitro-2,1,3-benzoxadiazole; hydrazine SMILES: NN.NNC1=CC=C(C2=NON=C12)[N+]([O-])=O

PubChem CID 16218437
CAS 131467-87-3
Molecular Weight (g/mol) 227.18
MDL Number MFCD00191508
SMILES NN.NNC1=CC=C(C2=NON=C12)[N+]([O-])=O
Synonym 4-Hydrazino-7-nitrobenzofurazan Hydrazine, 4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine
IUPAC Name 4-hydrazinyl-7-nitro-2,1,3-benzoxadiazole; hydrazine
InChI Key BLIOAKMSUDUCKB-UHFFFAOYSA-N
Molecular Formula C6H9N7O3
2

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
3

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
4

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
5

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
6

(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
7

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

CAS: 143112-51-0 Molecular Formula: C10H11N5O3 Molecular Weight (g/mol): 249.23 MDL Number: MFCD00191510 InChI Key: QSDDQXROWUJAJX-ZCFIWIBFSA-N Synonym: (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682840 IUPAC Name: (3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine SMILES: C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

PubChem CID 15682840
CAS 143112-51-0
Molecular Weight (g/mol) 249.23
MDL Number MFCD00191510
SMILES C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
Synonym (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name (3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
InChI Key QSDDQXROWUJAJX-ZCFIWIBFSA-N
Molecular Formula C10H11N5O3
8

(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
9

(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
10

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
11

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

CAS: 143112-49-6 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191379 InChI Key: SZJGHUNJZRXXCA-MRVPVSSYSA-N Synonym: (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole PubChem CID: 15682838 IUPAC Name: 7-[(3R)-3-aminopyrrolidin-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

PubChem CID 15682838
CAS 143112-49-6
Molecular Weight (g/mol) 311.36
MDL Number MFCD00191379
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N
Synonym (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)benzofurazan, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
IUPAC Name 7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key SZJGHUNJZRXXCA-MRVPVSSYSA-N
Molecular Formula C12H17N5O3S
12

(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
13

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

CAS: 163927-30-8 Molecular Formula: C11H9N5O3S Molecular Weight (g/mol): 291.285 MDL Number: MFCD02093435 InChI Key: CHKCHHTYBXOUKH-ZETCQYMHSA-N Synonym: (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 16218824 IUPAC Name: 7-[(3S)-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 16218824
CAS 163927-30-8
Molecular Weight (g/mol) 291.285
MDL Number MFCD02093435
SMILES C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
Synonym (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole
IUPAC Name 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole
InChI Key CHKCHHTYBXOUKH-ZETCQYMHSA-N
Molecular Formula C11H9N5O3S
14

4-Fluoro-7-nitrobenzofurazan

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
15

4-(N,N-Dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole 98.0+%, TCI America™
SDP

CAS: 147611-83-4 Molecular Formula: C8H10N4O3S Molecular Weight (g/mol): 242.253 InChI Key: ZRHMJRAHRITJBK-UHFFFAOYSA-N PubChem CID: 44629982 IUPAC Name: 7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N

PubChem CID 44629982
CAS 147611-83-4
Molecular Weight (g/mol) 242.253
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N
IUPAC Name 7-amino-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key ZRHMJRAHRITJBK-UHFFFAOYSA-N
Molecular Formula C8H10N4O3S