3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H16ClFN2O2 — CID 2962185

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C18H16ClFN2O2/c19-13-7-4-8-14(20)17(13)15-11-16(24-22-15)18(23)21-10-9-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,21,23)
InChIKeyWPKGCLVXRRVSDF-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.33
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962185) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962185
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C18H16ClFN2O2/c19-13-7-4-8-14(20)17(13)15-11-16(24-22-15)18(23)21-10-9-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,21,23)
InChIKeyWPKGCLVXRRVSDF-UHFFFAOYSA-N
XLogP3.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide 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)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962185) is 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCc1ccccc1)C1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WPKGCLVXRRVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-13-7-4-8-14(20)17(13)15-11-16(24-22-15)18(23)21-10-9-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,21,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).