[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone

C17H11ClFNO2 — CID 2805172

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C17H11ClFNO2/c1-10-14(17(21)11-6-3-2-4-7-11)16(20-22-10)15-12(18)8-5-9-13(15)19/h2-9H,1H3
InChIKeyTTXHOBQWEBHJFP-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.67
Rot. Bonds3

About [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 2805172) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID2805172
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C17H11ClFNO2/c1-10-14(17(21)11-6-3-2-4-7-11)16(20-22-10)15-12(18)8-5-9-13(15)19/h2-9H,1H3
InChIKeyTTXHOBQWEBHJFP-UHFFFAOYSA-N
XLogP4.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone (CID 2805172) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1ccccc1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is TTXHOBQWEBHJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-10-14(17(21)11-6-3-2-4-7-11)16(20-22-10)15-12(18)8-5-9-13(15)19/h2-9H,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 315.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 2805172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).