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

C16H20FN3O — CID 47025002

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESCCN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H20FN3O/c1-2-19-6-8-20(9-7-19)11-15-12-21-16(18-15)13-4-3-5-14(17)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyWZLZGMGUDGXXJE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.62
Rot. Bonds4

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

4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (PubChem CID 47025002) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
PubChem CID47025002
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESCCN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H20FN3O/c1-2-19-6-8-20(9-7-19)11-15-12-21-16(18-15)13-4-3-5-14(17)10-13/h3-5,10,12H,2,6-9,11H2,1H3
InChIKeyWZLZGMGUDGXXJE-UHFFFAOYSA-N
XLogP2.62
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-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-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (CID 47025002) is 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is CCN1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is WZLZGMGUDGXXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-19-6-8-20(9-7-19)11-15-12-21-16(18-15)13-4-3-5-14(17)10-13/h3-5,10,12H,2,6-9,11H2,1H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 289.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 47025002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).