(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C14H11ClFNO4S — CID 54095725

IUPAC(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C14H11ClFNO4S/c1-22(19,20)14-8(4-5-10(15)11(14)16)12(18)9-6-17-21-13(9)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyMWYVQEXIRIUSBM-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.98
Rot. Bonds4

About (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54095725) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54095725
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C14H11ClFNO4S/c1-22(19,20)14-8(4-5-10(15)11(14)16)12(18)9-6-17-21-13(9)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyMWYVQEXIRIUSBM-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone 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 (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54095725) is (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F.
What is the InChIKey of (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MWYVQEXIRIUSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c1-22(19,20)14-8(4-5-10(15)11(14)16)12(18)9-6-17-21-13(9)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
(4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 343.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluoro-2-methylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54095725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).