3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide

C18H18N2O4 — CID 53067053

IUPAC3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O4/c1-23-10-9-19-17(21)14-7-8-16-15(11-14)20(18(22)24-16)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyGQMTVLGZYVOCFR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.02
Rot. Bonds6

About 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide

3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067053) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067053
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1
InChIInChI=1S/C18H18N2O4/c1-23-10-9-19-17(21)14-7-8-16-15(11-14)20(18(22)24-16)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyGQMTVLGZYVOCFR-UHFFFAOYSA-N
XLogP2.02
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
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-[[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-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
3-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53067252
ethyl N-[3-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]phenyl]carbamate
CID 25124417
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067053) is 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide is COCCNC(=O)c1ccc2oc(=O)n(Cc3ccccc3)c2c1.
What is the InChIKey of 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is GQMTVLGZYVOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-10-9-19-17(21)14-7-8-16-15(11-14)20(18(22)24-16)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,21).
What are the key properties of 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).