N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide

C23H17FN2O4 — CID 53067106

IUPACN-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1
InChIInChI=1S/C23H17FN2O4/c1-14(27)16-3-2-4-19(11-16)25-22(28)17-7-10-21-20(12-17)26(23(29)30-21)13-15-5-8-18(24)9-6-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyYYDVQMDXZHNWIA-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.24
Rot. Bonds5

About N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide

N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067106) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067106
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC NameN-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1
InChIInChI=1S/C23H17FN2O4/c1-14(27)16-3-2-4-19(11-16)25-22(28)17-7-10-21-20(12-17)26(23(29)30-21)13-15-5-8-18(24)9-6-15/h2-12H,13H2,1H3,(H,25,28)
InChIKeyYYDVQMDXZHNWIA-UHFFFAOYSA-N
XLogP4.24
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067072
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
methyl 3-[(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110683349
[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamic acid
CID 67447475
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067106) is N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is YYDVQMDXZHNWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c1-14(27)16-3-2-4-19(11-16)25-22(28)17-7-10-21-20(12-17)26(23(29)30-21)13-15-5-8-18(24)9-6-15/h2-12H,13H2,1H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).