2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole

C15H19N3O — CID 174438435

IUPAC2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole
SMILESCC1CN(Cc2ccccc2)CCN1c1ncco1
InChIInChI=1S/C15H19N3O/c1-13-11-17(12-14-5-3-2-4-6-14)8-9-18(13)15-16-7-10-19-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyYCBSNMAGJFCDMA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds3

About 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole

2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole (PubChem CID 174438435) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole
PubChem CID174438435
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole
SMILESCC1CN(Cc2ccccc2)CCN1c1ncco1
InChIInChI=1S/C15H19N3O/c1-13-11-17(12-14-5-3-2-4-6-14)8-9-18(13)15-16-7-10-19-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyYCBSNMAGJFCDMA-UHFFFAOYSA-N
XLogP2.39
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-2-methylpiperazin-1-yl)-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-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole?
The IUPAC name of 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole (CID 174438435) is 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole is CC1CN(Cc2ccccc2)CCN1c1ncco1.
What is the InChIKey of 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole?
The InChIKey is YCBSNMAGJFCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-11-17(12-14-5-3-2-4-6-14)8-9-18(13)15-16-7-10-19-15/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole?
2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-methylpiperazin-1-yl)-1,3-oxazole is sourced from PubChem (CID 174438435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).