(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C17H20N2O2 — CID 2971133

IUPAC(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)no1
InChIInChI=1S/C17H20N2O2/c1-13-11-16(18-21-13)17(20)19-9-7-15(8-10-19)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyBMTNWUHBNZVGST-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 2971133) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID2971133
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)no1
InChIInChI=1S/C17H20N2O2/c1-13-11-16(18-21-13)17(20)19-9-7-15(8-10-19)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyBMTNWUHBNZVGST-UHFFFAOYSA-N
XLogP3.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone 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-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 2971133) is (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)no1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is BMTNWUHBNZVGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-11-16(18-21-13)17(20)19-9-7-15(8-10-19)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 2971133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).