N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H18N4O3S — CID 110779414

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H18N4O3S/c1-9-15(10(2)23-18-9)24(21,22)19-12-6-7-14-13(8-12)17-16(20(14)3)11-4-5-11/h6-8,11,19H,4-5H2,1-3H3
InChIKeyBNLWVKDCKYBJJX-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.86
Rot. Bonds4

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110779414) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110779414
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H18N4O3S/c1-9-15(10(2)23-18-9)24(21,22)19-12-6-7-14-13(8-12)17-16(20(14)3)11-4-5-11/h6-8,11,19H,4-5H2,1-3H3
InChIKeyBNLWVKDCKYBJJX-UHFFFAOYSA-N
XLogP2.86
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779365
3,5-dimethyl-N-(1-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779168
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46379237
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 9116131
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 134028009
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110779414) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BNLWVKDCKYBJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-15(10(2)23-18-9)24(21,22)19-12-6-7-14-13(8-12)17-16(20(14)3)11-4-5-11/h6-8,11,19H,4-5H2,1-3H3.
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).