5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

C18H14F2N2O2 — CID 110648349

IUPAC5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-15-7-6-13(10-16(15)20)17-14(11-22-24-17)18(23)21-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyJCQVGFCDDRTEHI-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.59
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110648349) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID110648349
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-15-7-6-13(10-16(15)20)17-14(11-22-24-17)18(23)21-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23)
InChIKeyJCQVGFCDDRTEHI-UHFFFAOYSA-N
XLogP3.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
CID 110647673
5-(3,4-difluorophenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647969
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170194
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (CID 110648349) is 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is O=C(NCCc1ccccc1)c1cnoc1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is JCQVGFCDDRTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-15-7-6-13(10-16(15)20)17-14(11-22-24-17)18(23)21-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,23).
What are the key properties of 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110648349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).