4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride

C22H25ClFN3O2 — CID 3078389

IUPAC4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H24FN3O2.ClH/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19;/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27);1H
InChIKeyODIKCDOLFYBSBJ-UHFFFAOYSA-N
MW417.91 g/mol
LogP3.95
Rot. Bonds6

About 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride

4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride (PubChem CID 3078389) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride
PubChem CID3078389
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC Name4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H24FN3O2.ClH/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19;/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27);1H
InChIKeyODIKCDOLFYBSBJ-UHFFFAOYSA-N
XLogP3.95
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride 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-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride (CID 3078389) is 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride is Cl.O=c1[nH]c(-c2ccc(F)cc2)c(CCCN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride?
The InChIKey is ODIKCDOLFYBSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2.ClH/c23-18-10-8-17(9-11-18)21-20(28-22(27)24-21)7-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19;/h1-3,5-6,8-11H,4,7,12-16H2,(H,24,27);1H.
What are the key properties of 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride?
4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride has a molecular weight of 417.91 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one;hydrochloride is sourced from PubChem (CID 3078389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).