N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

C21H22N2O4 — CID 46141678

IUPACN-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1ccccc1)Cc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C21H22N2O4/c1-25-15-21(24)23(13-16-6-4-3-5-7-16)14-18-12-20(27-22-18)17-8-10-19(26-2)11-9-17/h3-12H,13-15H2,1-2H3
InChIKeyNUVHOZAKFNSWBZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.53
Rot. Bonds8

About N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide

N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (PubChem CID 46141678) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
PubChem CID46141678
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1ccccc1)Cc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C21H22N2O4/c1-25-15-21(24)23(13-16-6-4-3-5-7-16)14-18-12-20(27-22-18)17-8-10-19(26-2)11-9-17/h3-12H,13-15H2,1-2H3
InChIKeyNUVHOZAKFNSWBZ-UHFFFAOYSA-N
XLogP3.53
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The IUPAC name of N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide (CID 46141678) is N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The canonical SMILES for N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is COCC(=O)N(Cc1ccccc1)Cc1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
The InChIKey is NUVHOZAKFNSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-15-21(24)23(13-16-6-4-3-5-7-16)14-18-12-20(27-22-18)17-8-10-19(26-2)11-9-17/h3-12H,13-15H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide?
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide is sourced from PubChem (CID 46141678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).