3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

C22H18N2O4 — CID 53067029

IUPAC3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-10-8-17(9-11-18)23-21(25)16-7-12-20-19(13-16)24(22(26)28-20)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,25)
InChIKeyGOHXCUHPFAGWGT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.90
Rot. Bonds5

About 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide

3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067029) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067029
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C22H18N2O4/c1-27-18-10-8-17(9-11-18)23-21(25)16-7-12-20-19(13-16)24(22(26)28-20)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,25)
InChIKeyGOHXCUHPFAGWGT-UHFFFAOYSA-N
XLogP3.90
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067046
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
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-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
N-(3-acetylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067106
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-oxo-N-phenyl-1,3-benzoxazole-5-carboxamide
CID 50842004
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067029) is 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is GOHXCUHPFAGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-18-10-8-17(9-11-18)23-21(25)16-7-12-20-19(13-16)24(22(26)28-20)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).