5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide

C18H14F2N2O2 — CID 110647993

IUPAC5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnoc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-11-2-4-12(5-3-11)9-21-18(23)14-10-22-24-17(14)13-6-7-15(19)16(20)8-13/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyWVLNBFDRAUWFMS-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.86
Rot. Bonds4

About 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide

5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 110647993) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID110647993
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnoc2-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H14F2N2O2/c1-11-2-4-12(5-3-11)9-21-18(23)14-10-22-24-17(14)13-6-7-15(19)16(20)8-13/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeyWVLNBFDRAUWFMS-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647969
5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
CID 110647673
5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110648349
N-tert-butyl-5-(3,4-difluorophenyl)-1,2-oxazole-4-carboxamide
CID 110649198
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170194
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide (CID 110647993) is 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide is Cc1ccc(CNC(=O)c2cnoc2-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WVLNBFDRAUWFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-11-2-4-12(5-3-11)9-21-18(23)14-10-22-24-17(14)13-6-7-15(19)16(20)8-13/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of 5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide?
5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.86, 4 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-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110647993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).