N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide

C11H6FN3O4S — CID 167879524

IUPACN-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cocn1
InChIInChI=1S/C11H6FN3O4S/c12-8-2-1-3-10(7(8)4-13)20(17,18)15-11(16)9-5-19-6-14-9/h1-3,5-6H,(H,15,16)
InChIKeyQWECTEGUCWRCLC-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.80
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide

N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 167879524) has the molecular formula C11H6FN3O4S and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide
PubChem CID167879524
Molecular FormulaC11H6FN3O4S
Molecular Weight295.25 g/mol
Exact Mass295.01
IUPAC NameN-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cocn1
InChIInChI=1S/C11H6FN3O4S/c12-8-2-1-3-10(7(8)4-13)20(17,18)15-11(16)9-5-19-6-14-9/h1-3,5-6H,(H,15,16)
InChIKeyQWECTEGUCWRCLC-UHFFFAOYSA-N
XLogP0.80
TPSA113.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-cyano-3-fluorophenyl)sulfonyl-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-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide (CID 167879524) is N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide is N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cocn1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is QWECTEGUCWRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O4S/c12-8-2-1-3-10(7(8)4-13)20(17,18)15-11(16)9-5-19-6-14-9/h1-3,5-6H,(H,15,16).
What are the key properties of N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide?
N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 295.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)sulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167879524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).