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

C14H9ClFN3O2 — CID 4132797

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cccn1
InChIInChI=1S/C14H9ClFN3O2/c1-8-11(14(20)19-7-3-6-17-19)13(18-21-8)12-9(15)4-2-5-10(12)16/h2-7H,1H3
InChIKeyZTBZFASSOLHEQH-UHFFFAOYSA-N
MW305.70 g/mol
LogP3.33
Rot. Bonds2

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

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone (PubChem CID 4132797) has the molecular formula C14H9ClFN3O2 and a molecular weight of 305.70 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
PubChem CID4132797
Molecular FormulaC14H9ClFN3O2
Molecular Weight305.70 g/mol
Exact Mass305.04
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cccn1
InChIInChI=1S/C14H9ClFN3O2/c1-8-11(14(20)19-7-3-6-17-19)13(18-21-8)12-9(15)4-2-5-10(12)16/h2-7H,1H3
InChIKeyZTBZFASSOLHEQH-UHFFFAOYSA-N
XLogP3.33
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone 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 [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone (CID 4132797) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)n1cccn1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
The InChIKey is ZTBZFASSOLHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O2/c1-8-11(14(20)19-7-3-6-17-19)13(18-21-8)12-9(15)4-2-5-10(12)16/h2-7H,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone has a molecular weight of 305.70 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 4132797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).