2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

C24H22N2O4 — CID 53089373

IUPAC2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1OC
InChIInChI=1S/C24H22N2O4/c1-28-20-11-8-17(12-22(20)29-2)15-25-24(27)18-9-10-19-21(14-18)30-23(26-19)13-16-6-4-3-5-7-16/h3-12,14H,13,15H2,1-2H3,(H,25,27)
InChIKeyXCTZSSWHUFAWBS-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.37
Rot. Bonds7

About 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 53089373) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID53089373
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1OC
InChIInChI=1S/C24H22N2O4/c1-28-20-11-8-17(12-22(20)29-2)15-25-24(27)18-9-10-19-21(14-18)30-23(26-19)13-16-6-4-3-5-7-16/h3-12,14H,13,15H2,1-2H3,(H,25,27)
InChIKeyXCTZSSWHUFAWBS-UHFFFAOYSA-N
XLogP4.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-[(3-bromophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089385
2-benzyl-N-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089283
2-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 46354275
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294
2-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-methylimidazol-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24817058
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
2-[(3,4-dimethoxyphenyl)methyl]-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 31225037
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
2-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089659

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 53089373) is 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is COc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1OC.
What is the InChIKey of 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is XCTZSSWHUFAWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-28-20-11-8-17(12-22(20)29-2)15-25-24(27)18-9-10-19-21(14-18)30-23(26-19)13-16-6-4-3-5-7-16/h3-12,14H,13,15H2,1-2H3,(H,25,27).
What are the key properties of 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 53089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).