3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide

C26H31N3O3 — CID 11604460

IUPAC3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C26H31N3O3/c1-26(25(31)28(2)3)18-23(27-32-26)21-9-11-22(12-10-21)24(30)29-15-13-20(14-16-29)17-19-7-5-4-6-8-19/h4-12,20H,13-18H2,1-3H3
InChIKeyBIKCINKAHHASMU-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.75
Rot. Bonds5

About 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 11604460) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
PubChem CID11604460
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C26H31N3O3/c1-26(25(31)28(2)3)18-23(27-32-26)21-9-11-22(12-10-21)24(30)29-15-13-20(14-16-29)17-19-7-5-4-6-8-19/h4-12,20H,13-18H2,1-3H3
InChIKeyBIKCINKAHHASMU-UHFFFAOYSA-N
XLogP3.75
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide 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 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide (CID 11604460) is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide is CN(C)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1.
What is the InChIKey of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is BIKCINKAHHASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-26(25(31)28(2)3)18-23(27-32-26)21-9-11-22(12-10-21)24(30)29-15-13-20(14-16-29)17-19-7-5-4-6-8-19/h4-12,20H,13-18H2,1-3H3.
What are the key properties of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11604460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).