(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide

C16H27N3O2 — CID 97066898

IUPAC(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@H](CC(C)C)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyXZNQAEQRRGDAKR-CQSZACIVSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds4

About (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide

(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 97066898) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID97066898
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC[C@H](CC(C)C)C2)oc1C
InChIInChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyXZNQAEQRRGDAKR-CQSZACIVSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-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 (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide (CID 97066898) is (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC[C@H](CC(C)C)C2)oc1C.
What is the InChIKey of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is XZNQAEQRRGDAKR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)8-14-6-5-7-19(10-14)16(20)17-9-15-18-12(3)13(4)21-15/h11,14H,5-10H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide?
(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 97066898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).