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

C17H13FN2O3 — CID 110681224

IUPACN-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)Nc2ccccc2F)c1-c1ccccc1
InChIInChI=1S/C17H13FN2O3/c1-20-15(11-7-3-2-4-8-11)14(17(22)23-20)16(21)19-13-10-6-5-9-12(13)18/h2-10H,1H3,(H,19,21)
InChIKeyHOGBSDXMWBOJKY-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.04
Rot. Bonds3

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

N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681224) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681224
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)Nc2ccccc2F)c1-c1ccccc1
InChIInChI=1S/C17H13FN2O3/c1-20-15(11-7-3-2-4-8-11)14(17(22)23-20)16(21)19-13-10-6-5-9-12(13)18/h2-10H,1H3,(H,19,21)
InChIKeyHOGBSDXMWBOJKY-UHFFFAOYSA-N
XLogP3.04
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
N-(2,6-dimethylphenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681217
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681249
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680924
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681047
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
CID 604974
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
N-(2-fluorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200620
N-(2-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 66898481
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681224) is N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is Cn1oc(=O)c(C(=O)Nc2ccccc2F)c1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HOGBSDXMWBOJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-20-15(11-7-3-2-4-8-11)14(17(22)23-20)16(21)19-13-10-6-5-9-12(13)18/h2-10H,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).