1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C19H24ClN3O2 — CID 110608727

IUPAC1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(CCCc3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H24ClN3O2/c1-15-13-18(21-25-15)14-19(24)23-11-9-22(10-12-23)8-2-3-16-4-6-17(20)7-5-16/h4-7,13H,2-3,8-12,14H2,1H3
InChIKeyXHRAETQAVFNXGR-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 110608727) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID110608727
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCN(CCCc3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H24ClN3O2/c1-15-13-18(21-25-15)14-19(24)23-11-9-22(10-12-23)8-2-3-16-4-6-17(20)7-5-16/h4-7,13H,2-3,8-12,14H2,1H3
InChIKeyXHRAETQAVFNXGR-UHFFFAOYSA-N
XLogP2.96
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone 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

1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 110610868
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
1-(4-acetylpiperazin-1-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878729
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butanoic acid
CID 119134742
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 110646397
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
1-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136518974
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]ethanone
CID 86950107

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 110608727) is 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(CC(=O)N2CCN(CCCc3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is XHRAETQAVFNXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-15-13-18(21-25-15)14-19(24)23-11-9-22(10-12-23)8-2-3-16-4-6-17(20)7-5-16/h4-7,13H,2-3,8-12,14H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 361.87 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)propyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 110608727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).