2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

C20H21N3O — CID 12049520

IUPAC2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2
InChIKeyYJLMHUBBYHISAU-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.66
Rot. Bonds4

About 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 12049520) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID12049520
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2
InChIKeyYJLMHUBBYHISAU-UHFFFAOYSA-N
XLogP3.66
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-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 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 12049520) is 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)co2)cc1.
What is the InChIKey of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is YJLMHUBBYHISAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-7-17(8-4-1)20-21-18(16-24-20)15-22-11-13-23(14-12-22)19-9-5-2-6-10-19/h1-10,16H,11-15H2.
What are the key properties of 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 319.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 12049520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).