2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

C23H32N4O3 — CID 86879409

IUPAC2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C23H32N4O3/c1-15-8-6-7-9-20(15)16(2)24-23(29)18(4)26-10-12-27(13-11-26)22(28)14-21-17(3)25-30-19(21)5/h6-9,16,18H,10-14H2,1-5H3,(H,24,29)
InChIKeyOYDRDIKYXVYZAS-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 86879409) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID86879409
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C23H32N4O3/c1-15-8-6-7-9-20(15)16(2)24-23(29)18(4)26-10-12-27(13-11-26)22(28)14-21-17(3)25-30-19(21)5/h6-9,16,18H,10-14H2,1-5H3,(H,24,29)
InChIKeyOYDRDIKYXVYZAS-UHFFFAOYSA-N
XLogP2.55
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide 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-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
CID 86879435
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 86879437
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
N-[1-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 86877505
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
1-[4-(5-bromo-3-methylfuran-2-carbonyl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877541
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 125004464
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 86879454

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide (CID 86879409) is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(C)NC(=O)C(C)N1CCN(C(=O)Cc2c(C)noc2C)CC1.
What is the InChIKey of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is OYDRDIKYXVYZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-15-8-6-7-9-20(15)16(2)24-23(29)18(4)26-10-12-27(13-11-26)22(28)14-21-17(3)25-30-19(21)5/h6-9,16,18H,10-14H2,1-5H3,(H,24,29).
What are the key properties of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide?
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 86879409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).