[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C16H15ClFNO5S — CID 54349812

IUPAC[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1OCCF
InChIInChI=1S/C16H15ClFNO5S/c1-25(21,22)16-10(4-5-12(17)15(16)23-7-6-18)13(20)11-8-19-24-14(11)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyUEXVBVISRYWBCN-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.19
Rot. Bonds7

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

[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54349812) has the molecular formula C16H15ClFNO5S and a molecular weight of 387.82 g/mol. Its IUPAC name is [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54349812
Molecular FormulaC16H15ClFNO5S
Molecular Weight387.82 g/mol
Exact Mass387.03
IUPAC Name[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1OCCF
InChIInChI=1S/C16H15ClFNO5S/c1-25(21,22)16-10(4-5-12(17)15(16)23-7-6-18)13(20)11-8-19-24-14(11)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyUEXVBVISRYWBCN-UHFFFAOYSA-N
XLogP3.19
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-chloro-3-(2-fluoroethoxy)-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-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54349812) is [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1OCCF.
What is the InChIKey of [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UEXVBVISRYWBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO5S/c1-25(21,22)16-10(4-5-12(17)15(16)23-7-6-18)13(20)11-8-19-24-14(11)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 387.82 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2-fluoroethoxy)-2-methylsulfonylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54349812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).