2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

C15H18ClN3O — CID 120770952

IUPAC2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNCC2c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClN3O/c1-11-8-18-15(20-11)10-19-6-5-17-9-14(19)12-3-2-4-13(16)7-12/h2-4,7-8,14,17H,5-6,9-10H2,1H3
InChIKeyKCQBEOBZUCHHJA-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.78
Rot. Bonds3

About 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 120770952) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID120770952
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCNCC2c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClN3O/c1-11-8-18-15(20-11)10-19-6-5-17-9-14(19)12-3-2-4-13(16)7-12/h2-4,7-8,14,17H,5-6,9-10H2,1H3
InChIKeyKCQBEOBZUCHHJA-UHFFFAOYSA-N
XLogP2.78
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole 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-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120771142
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 120771222

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 120770952) is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CCNCC2c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is KCQBEOBZUCHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-8-18-15(20-11)10-19-6-5-17-9-14(19)12-3-2-4-13(16)7-12/h2-4,7-8,14,17H,5-6,9-10H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 291.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 120770952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).