N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide

C12H9N3O4S — CID 98688932

IUPACN-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H9N3O4S/c1-8-11(14-7-19-8)12(16)15-20(17,18)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,15,16)
InChIKeyJWMXKULHTRFQHI-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.97
Rot. Bonds3

About N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide

N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 98688932) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID98688932
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC NameN-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C12H9N3O4S/c1-8-11(14-7-19-8)12(16)15-20(17,18)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,15,16)
InChIKeyJWMXKULHTRFQHI-UHFFFAOYSA-N
XLogP0.97
TPSA113.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide (CID 98688932) is N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JWMXKULHTRFQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c1-8-11(14-7-19-8)12(16)15-20(17,18)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H,15,16).
What are the key properties of N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide?
N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 291.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 98688932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).