5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole

C17H21N3O — CID 53193473

IUPAC5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESC=CCN1CCN(Cc2cnoc2-c2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c1-2-8-19-9-11-20(12-10-19)14-16-13-18-21-17(16)15-6-4-3-5-7-15/h2-7,13H,1,8-12,14H2
InChIKeyRIVBFDMHEDFRPB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.65
Rot. Bonds5

About 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole

5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 53193473) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID53193473
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESC=CCN1CCN(Cc2cnoc2-c2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c1-2-8-19-9-11-20(12-10-19)14-16-13-18-21-17(16)15-6-4-3-5-7-15/h2-7,13H,1,8-12,14H2
InChIKeyRIVBFDMHEDFRPB-UHFFFAOYSA-N
XLogP2.65
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-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 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole (CID 53193473) is 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole is C=CCN1CCN(Cc2cnoc2-c2ccccc2)CC1.
What is the InChIKey of 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is RIVBFDMHEDFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-8-19-9-11-20(12-10-19)14-16-13-18-21-17(16)15-6-4-3-5-7-15/h2-7,13H,1,8-12,14H2.
What are the key properties of 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole?
5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 283.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(4-prop-2-enylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 53193473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).