N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H15FN2O3 — CID 50805851

IUPACN-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(-c3cccc(F)c3)noc2C)cc1
InChIInChI=1S/C19H15FN2O3/c1-11(23)13-6-8-16(9-7-13)21-19(24)17-12(2)25-22-18(17)14-4-3-5-15(20)10-14/h3-10H,1-2H3,(H,21,24)
InChIKeyOVVZBPUOEACHTD-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.24
Rot. Bonds4

About N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805851) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805851
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC NameN-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(-c3cccc(F)c3)noc2C)cc1
InChIInChI=1S/C19H15FN2O3/c1-11(23)13-6-8-16(9-7-13)21-19(24)17-12(2)25-22-18(17)14-4-3-5-15(20)10-14/h3-10H,1-2H3,(H,21,24)
InChIKeyOVVZBPUOEACHTD-UHFFFAOYSA-N
XLogP4.24
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805432
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805433
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805488
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60534337
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 155555398
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805851) is N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2c(-c3cccc(F)c3)noc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OVVZBPUOEACHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-11(23)13-6-8-16(9-7-13)21-19(24)17-12(2)25-22-18(17)14-4-3-5-15(20)10-14/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).