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

C23H20N2O5 — CID 53067046

IUPAC3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N2O5/c1-28-17-9-11-20(29-2)18(13-17)24-22(26)16-8-10-21-19(12-16)25(23(27)30-21)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeySBPYXJMHPRYYEH-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.91
Rot. Bonds6

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

3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (PubChem CID 53067046) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
PubChem CID53067046
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1
InChIInChI=1S/C23H20N2O5/c1-28-17-9-11-20(29-2)18(13-17)24-22(26)16-8-10-21-19(12-16)25(23(27)30-21)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeySBPYXJMHPRYYEH-UHFFFAOYSA-N
XLogP3.91
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
3-benzyl-N-(3,5-dimethylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067050
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
N-(3-acetylphenyl)-3-benzyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067051
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
N-(2,5-dimethoxyphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119475
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
CID 46946073
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide (CID 53067046) is 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1.
What is the InChIKey of 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
The InChIKey is SBPYXJMHPRYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-28-17-9-11-20(29-2)18(13-17)24-22(26)16-8-10-21-19(12-16)25(23(27)30-21)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide?
3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).