4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C21H26N4O — CID 70739906

IUPAC4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC(c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O/c1-16-20(17(2)26-23-16)15-24-11-6-9-19(14-24)21-22-10-12-25(21)13-18-7-4-3-5-8-18/h3-5,7-8,10,12,19H,6,9,11,13-15H2,1-2H3
InChIKeyKRLSXRRMUUMEEO-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.92
Rot. Bonds5

About 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 70739906) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID70739906
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC(c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O/c1-16-20(17(2)26-23-16)15-24-11-6-9-19(14-24)21-22-10-12-25(21)13-18-7-4-3-5-8-18/h3-5,7-8,10,12,19H,6,9,11,13-15H2,1-2H3
InChIKeyKRLSXRRMUUMEEO-UHFFFAOYSA-N
XLogP3.92
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-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 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 70739906) is 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCCC(c2nccn2Cc2ccccc2)C1.
What is the InChIKey of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is KRLSXRRMUUMEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-20(17(2)26-23-16)15-24-11-6-9-19(14-24)21-22-10-12-25(21)13-18-7-4-3-5-8-18/h3-5,7-8,10,12,19H,6,9,11,13-15H2,1-2H3.
What are the key properties of 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 350.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).