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

C15H12ClF2NO2S — CID 54371160

IUPAC[4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCSc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1C(F)F
InChIInChI=1S/C15H12ClF2NO2S/c1-22-14-8(4-5-10(16)11(14)15(17)18)12(20)9-6-19-21-13(9)7-2-3-7/h4-7,15H,2-3H2,1H3
InChIKeyUTHWRBUAMZCDHL-UHFFFAOYSA-N
MW343.78 g/mol
LogP5.10
Rot. Bonds5

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

[4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54371160) has the molecular formula C15H12ClF2NO2S and a molecular weight of 343.78 g/mol. Its IUPAC name is [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54371160
Molecular FormulaC15H12ClF2NO2S
Molecular Weight343.78 g/mol
Exact Mass343.02
IUPAC Name[4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCSc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1C(F)F
InChIInChI=1S/C15H12ClF2NO2S/c1-22-14-8(4-5-10(16)11(14)15(17)18)12(20)9-6-19-21-13(9)7-2-3-7/h4-7,15H,2-3H2,1H3
InChIKeyUTHWRBUAMZCDHL-UHFFFAOYSA-N
XLogP5.10
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.78
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54371160) is [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is CSc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1C(F)F.
What is the InChIKey of [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UTHWRBUAMZCDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2S/c1-22-14-8(4-5-10(16)11(14)15(17)18)12(20)9-6-19-21-13(9)7-2-3-7/h4-7,15H,2-3H2,1H3.
What are the key properties of [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 343.78 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(difluoromethyl)-2-methylsulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54371160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).