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

C23H19FN2O3 — CID 53067072

IUPACN-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN2O3/c1-25(14-16-5-3-2-4-6-16)22(27)18-9-12-21-20(13-18)26(23(28)29-21)15-17-7-10-19(24)11-8-17/h2-13H,14-15H2,1H3
InChIKeyKZNYEGXWAPKDQJ-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds5

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

N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067072) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067072
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC NameN-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN2O3/c1-25(14-16-5-3-2-4-6-16)22(27)18-9-12-21-20(13-18)26(23(28)29-21)15-17-7-10-19(24)11-8-17/h2-13H,14-15H2,1H3
InChIKeyKZNYEGXWAPKDQJ-UHFFFAOYSA-N
XLogP4.05
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 46111541
2-oxo-3-(3-phenylpropyl)-1,3-benzoxazole-5-carboxylic acid
CID 82062913
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N-benzyl-2-benzylidene-4-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5146111
3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067072) is N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is KZNYEGXWAPKDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-25(14-16-5-3-2-4-6-16)22(27)18-9-12-21-20(13-18)26(23(28)29-21)15-17-7-10-19(24)11-8-17/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).