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

C17H13FN2O3 — CID 110680910

IUPACN-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)
InChIKeyLPVBIMOSASPBBV-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.04
Rot. Bonds3

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

N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680910) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680910
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)
InChIKeyLPVBIMOSASPBBV-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

N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680893
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680924
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680866
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681249

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680910) is N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LPVBIMOSASPBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-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-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).