(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C16H16ClNO4S — CID 54423775

IUPAC(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H16ClNO4S/c1-9(2)23(20,21)11-5-6-12(14(17)7-11)15(19)13-8-18-22-16(13)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyWCPVZGWCVHSFMM-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.62
Rot. Bonds5

About (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54423775) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54423775
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1
InChIInChI=1S/C16H16ClNO4S/c1-9(2)23(20,21)11-5-6-12(14(17)7-11)15(19)13-8-18-22-16(13)10-3-4-10/h5-10H,3-4H2,1-2H3
InChIKeyWCPVZGWCVHSFMM-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54423775) is (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is CC(C)S(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is WCPVZGWCVHSFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-9(2)23(20,21)11-5-6-12(14(17)7-11)15(19)13-8-18-22-16(13)10-3-4-10/h5-10H,3-4H2,1-2H3.
What are the key properties of (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
(2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 353.83 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-propan-2-ylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54423775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).