2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

C20H22N2O3 — CID 51095203

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C20H22N2O3/c1-14(7-8-15-9-11-16(24-2)12-10-15)21-20(23)13-18-17-5-3-4-6-19(17)25-22-18/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,21,23)
InChIKeyNJJXTJGWVOVEES-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.52
Rot. Bonds7

About 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (PubChem CID 51095203) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
PubChem CID51095203
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C20H22N2O3/c1-14(7-8-15-9-11-16(24-2)12-10-15)21-20(23)13-18-17-5-3-4-6-19(17)25-22-18/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,21,23)
InChIKeyNJJXTJGWVOVEES-UHFFFAOYSA-N
XLogP3.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide 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-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-(1,2-benzoxazol-3-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324369
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262368

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (CID 51095203) is 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is COc1ccc(CCC(C)NC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The InChIKey is NJJXTJGWVOVEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(7-8-15-9-11-16(24-2)12-10-15)21-20(23)13-18-17-5-3-4-6-19(17)25-22-18/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 51095203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).