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

C20H26FN3O — CID 73387192

IUPAC4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2
InChIKeyNMNZDMJXQZHSOH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.93
Rot. Bonds4

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

4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole (PubChem CID 73387192) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
PubChem CID73387192
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1
InChIInChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2
InChIKeyNMNZDMJXQZHSOH-UHFFFAOYSA-N
XLogP3.93
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole (CID 73387192) is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole is Fc1ccccc1-c1nc(CN2CCN(C3CCCCC3)CC2)co1.
What is the InChIKey of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
The InChIKey is NMNZDMJXQZHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c21-19-9-5-4-8-18(19)20-22-16(15-25-20)14-23-10-12-24(13-11-23)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2.
What are the key properties of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole?
4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole has a molecular weight of 343.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 73387192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).