2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole

C20H26ClN3O — CID 73387385

IUPAC2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)cc1
InChIInChI=1S/C20H26ClN3O/c21-17-8-6-16(7-9-17)20-22-18(15-25-20)14-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14H2
InChIKeyIGWWHXVISZPXTG-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole

2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 73387385) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID73387385
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)cc1
InChIInChI=1S/C20H26ClN3O/c21-17-8-6-16(7-9-17)20-22-18(15-25-20)14-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14H2
InChIKeyIGWWHXVISZPXTG-UHFFFAOYSA-N
XLogP4.45
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)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

4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
CID 73387192
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(3-nitrophenyl)-1,3-oxazole
CID 73387383
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 51104412
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole (CID 73387385) is 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole is Clc1ccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is IGWWHXVISZPXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c21-17-8-6-16(7-9-17)20-22-18(15-25-20)14-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 359.90 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 73387385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).