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

C21H23N3O — CID 12050194

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeyZXKDQKMGPBQZPF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.66
Rot. Bonds5

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

4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 12050194) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
PubChem CID12050194
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
SMILESc1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeyZXKDQKMGPBQZPF-UHFFFAOYSA-N
XLogP3.66
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-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-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole (CID 12050194) is 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole is c1ccc(CN2CCN(Cc3coc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is ZXKDQKMGPBQZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-7-18(8-4-1)15-23-11-13-24(14-12-23)16-20-17-25-21(22-20)19-9-5-2-6-10-19/h1-10,17H,11-16H2.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole?
4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 333.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 12050194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).