N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

C17H13FN4O3S — CID 71060627

IUPACN-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)c(F)c3)o2)c1
InChIInChI=1S/C17H13FN4O3S/c1-26(23,24)22-14-4-2-3-13(8-14)21-17-20-10-16(25-17)11-5-6-12(9-19)15(18)7-11/h2-8,10,22H,1H3,(H,20,21)
InChIKeyUTRCFXFQDPSTCG-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.47
Rot. Bonds5

About N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide

N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 71060627) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
PubChem CID71060627
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)c(F)c3)o2)c1
InChIInChI=1S/C17H13FN4O3S/c1-26(23,24)22-14-4-2-3-13(8-14)21-17-20-10-16(25-17)11-5-6-12(9-19)15(18)7-11/h2-8,10,22H,1H3,(H,20,21)
InChIKeyUTRCFXFQDPSTCG-UHFFFAOYSA-N
XLogP3.47
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide 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-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide (CID 71060627) is N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)c(F)c3)o2)c1.
What is the InChIKey of N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is UTRCFXFQDPSTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c1-26(23,24)22-14-4-2-3-13(8-14)21-17-20-10-16(25-17)11-5-6-12(9-19)15(18)7-11/h2-8,10,22H,1H3,(H,20,21).
What are the key properties of N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide?
N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 372.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-cyano-3-fluorophenyl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71060627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).