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

C17H13FN2O2 — CID 46427554

IUPACN-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)on2)cc1
InChIInChI=1S/C17H13FN2O2/c1-11-5-7-12(8-6-11)15-10-16(22-20-15)17(21)19-14-4-2-3-13(18)9-14/h2-10H,1H3,(H,19,21)
InChIKeyISHFVTQPBNJSAA-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.04
Rot. Bonds3

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

N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46427554) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID46427554
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)on2)cc1
InChIInChI=1S/C17H13FN2O2/c1-11-5-7-12(8-6-11)15-10-16(22-20-15)17(21)19-14-4-2-3-13(18)9-14/h2-10H,1H3,(H,19,21)
InChIKeyISHFVTQPBNJSAA-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
N-(3-fluorophenyl)-3-(3-thiophen-3-ylphenyl)-1,2-oxazole-5-carboxamide
CID 177345266
N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55668639
methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848995
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 87006047
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46975857
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 119041204
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 46427554) is N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)on2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ISHFVTQPBNJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-5-7-12(8-6-11)15-10-16(22-20-15)17(21)19-14-4-2-3-13(18)9-14/h2-10H,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46427554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).