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

C22H24N2O3 — CID 42822314

IUPACN-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)C(C)C)no2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(2)22(25)24(14-17-7-5-4-6-8-17)15-19-13-21(27-23-19)18-9-11-20(26-3)12-10-18/h4-13,16H,14-15H2,1-3H3
InChIKeyIYEBAVGGJZHCRZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.53
Rot. Bonds7

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

N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (PubChem CID 42822314) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
PubChem CID42822314
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)C(C)C)no2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(2)22(25)24(14-17-7-5-4-6-8-17)15-19-13-21(27-23-19)18-9-11-20(26-3)12-10-18/h4-13,16H,14-15H2,1-3H3
InChIKeyIYEBAVGGJZHCRZ-UHFFFAOYSA-N
XLogP4.53
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 46111557

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide (CID 42822314) is N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide is COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)C(C)C)no2)cc1.
What is the InChIKey of N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
The InChIKey is IYEBAVGGJZHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(2)22(25)24(14-17-7-5-4-6-8-17)15-19-13-21(27-23-19)18-9-11-20(26-3)12-10-18/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide?
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42822314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).