4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one

C21H23N3O2 — CID 16738149

IUPAC4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one
SMILESCN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24(15-12-17-8-3-2-4-9-17)14-7-11-19(25)21-23-16-20(26-21)18-10-5-6-13-22-18/h2-6,8-10,13,16H,7,11-12,14-15H2,1H3
InChIKeyHLSBHAXEDUSQLL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.87
Rot. Bonds9

About 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one

4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one (PubChem CID 16738149) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one
PubChem CID16738149
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one
SMILESCN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-24(15-12-17-8-3-2-4-9-17)14-7-11-19(25)21-23-16-20(26-21)18-10-5-6-13-22-18/h2-6,8-10,13,16H,7,11-12,14-15H2,1H3
InChIKeyHLSBHAXEDUSQLL-UHFFFAOYSA-N
XLogP3.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one 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 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one (CID 16738149) is 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one is CN(CCCC(=O)c1ncc(-c2ccccn2)o1)CCc1ccccc1.
What is the InChIKey of 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one?
The InChIKey is HLSBHAXEDUSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24(15-12-17-8-3-2-4-9-17)14-7-11-19(25)21-23-16-20(26-21)18-10-5-6-13-22-18/h2-6,8-10,13,16H,7,11-12,14-15H2,1H3.
What are the key properties of 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one?
4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)amino]-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 16738149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).