N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

C16H14N2O3 — CID 110683274

IUPACN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C16H14N2O3/c1-18-13-9-12(7-8-14(13)21-16(18)20)15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGLQLONAQLMJVCQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds3

About N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide

N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 110683274) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID110683274
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCn1c(=O)oc2ccc(C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C16H14N2O3/c1-18-13-9-12(7-8-14(13)21-16(18)20)15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,19)
InChIKeyGLQLONAQLMJVCQ-UHFFFAOYSA-N
XLogP2.06
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
N',3-dimethyl-2-oxo-1,3-benzoxazole-5-carbohydrazide
CID 116846930
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683281
N-tert-butyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683308
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110786905
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
3-methyl-5-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 82493952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide (CID 110683274) is N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is Cn1c(=O)oc2ccc(C(=O)NCc3ccccc3)cc21.
What is the InChIKey of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is GLQLONAQLMJVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-13-9-12(7-8-14(13)21-16(18)20)15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide?
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110683274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).