4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

C19H21N3O2 — CID 140700977

IUPAC4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(N3CCN(c4ccccc4)CC3)cc2)CO1
InChIInChI=1S/C19H21N3O2/c23-19-20-18(14-24-19)15-6-8-17(9-7-15)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,20,23)
InChIKeyAHNKJKRCYPNVJB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.79
Rot. Bonds3

About 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 140700977) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID140700977
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(N3CCN(c4ccccc4)CC3)cc2)CO1
InChIInChI=1S/C19H21N3O2/c23-19-20-18(14-24-19)15-6-8-17(9-7-15)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,20,23)
InChIKeyAHNKJKRCYPNVJB-UHFFFAOYSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one 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-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 140700977) is 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is O=C1NC(c2ccc(N3CCN(c4ccccc4)CC3)cc2)CO1.
What is the InChIKey of 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is AHNKJKRCYPNVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19-20-18(14-24-19)15-6-8-17(9-7-15)22-12-10-21(11-13-22)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,20,23).
What are the key properties of 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 140700977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).