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

C14H11Cl2NO4S — CID 15452214

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO4S/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
InChIKeyGYFTVSPMBXYEJX-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.49
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone (PubChem CID 15452214) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone
PubChem CID15452214
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO4S/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
InChIKeyGYFTVSPMBXYEJX-UHFFFAOYSA-N
XLogP3.49
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone (CID 15452214) is (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone is CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Cl.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone?
The InChIKey is GYFTVSPMBXYEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/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 (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone has a molecular weight of 360.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(3,4-dichloro-2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 15452214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).