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

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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).