4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

C23H27N3O2 — CID 23723314

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-22(24-23(28-18)20-8-10-21(27-2)11-9-20)17-26-14-12-25(13-15-26)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3
InChIKeyRRONSAGGFNCLLS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.98
Rot. Bonds6

About 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (PubChem CID 23723314) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
PubChem CID23723314
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-22(24-23(28-18)20-8-10-21(27-2)11-9-20)17-26-14-12-25(13-15-26)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3
InChIKeyRRONSAGGFNCLLS-UHFFFAOYSA-N
XLogP3.98
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-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 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole (CID 23723314) is 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
The InChIKey is RRONSAGGFNCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-22(24-23(28-18)20-8-10-21(27-2)11-9-20)17-26-14-12-25(13-15-26)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole?
4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole has a molecular weight of 377.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 23723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).