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

C23H19FN2O3 — CID 53067081

IUPACN-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN2O3/c1-2-16-5-3-4-6-19(16)25-22(27)17-9-12-21-20(13-17)26(23(28)29-21)14-15-7-10-18(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyDTDGVRMFJBZMHM-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.60
Rot. Bonds5

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

N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067081) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067081
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC NameN-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN2O3/c1-2-16-5-3-4-6-19(16)25-22(27)17-9-12-21-20(13-17)26(23(28)29-21)14-15-7-10-18(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyDTDGVRMFJBZMHM-UHFFFAOYSA-N
XLogP4.60
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067072
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
3-[(4-methylphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067237
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067081) is N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide is CCc1ccccc1NC(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is DTDGVRMFJBZMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-2-16-5-3-4-6-19(16)25-22(27)17-9-12-21-20(13-17)26(23(28)29-21)14-15-7-10-18(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide?
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).