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

C18H13FN2O3 — CID 3240197

IUPACN-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H13FN2O3/c1-11(22)13-3-2-4-15(9-13)20-18(23)16-10-17(24-21-16)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)
InChIKeyXVHNMZSXKGOWPN-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.94
Rot. Bonds4

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

N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3240197) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID3240197
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC NameN-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H13FN2O3/c1-11(22)13-3-2-4-15(9-13)20-18(23)16-10-17(24-21-16)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23)
InChIKeyXVHNMZSXKGOWPN-UHFFFAOYSA-N
XLogP3.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
T56-LIMKi
CID 9438169
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(2-hydroxy-5-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093763
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
5-(4-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)isoxazole-3-carboxamide
CID 15988802

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 3240197) is N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XVHNMZSXKGOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-11(22)13-3-2-4-15(9-13)20-18(23)16-10-17(24-21-16)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).