N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

C15H11FN2O3 — CID 110766557

IUPACN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCn1c(=O)oc2cc(C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H11FN2O3/c1-18-12-7-2-9(8-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyJMTQYQMDZXAAIX-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.52
Rot. Bonds2

About N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide

N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766557) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766557
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC NameN-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCn1c(=O)oc2cc(C(=O)Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C15H11FN2O3/c1-18-12-7-2-9(8-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19)
InChIKeyJMTQYQMDZXAAIX-UHFFFAOYSA-N
XLogP2.52
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 86887242
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
N-(4-chlorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067173
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 71879473
4-fluoro-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 55558560
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 110616444
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766557) is N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is Cn1c(=O)oc2cc(C(=O)Nc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is JMTQYQMDZXAAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-18-12-7-2-9(8-13(12)21-15(18)20)14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).