2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide

C19H33N3O2 — CID 26742881

IUPAC2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C19H33N3O2/c1-6-22(7-2)18(23)11-14-8-9-20-13-15(14)10-16-12-17(24-21-16)19(3,4)5/h12,14-15,20H,6-11,13H2,1-5H3/t14-,15-/m0/s1
InChIKeyJMYWJBORTYGJCJ-GJZGRUSLSA-N
MW335.49 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide

2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide (PubChem CID 26742881) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
PubChem CID26742881
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C19H33N3O2/c1-6-22(7-2)18(23)11-14-8-9-20-13-15(14)10-16-12-17(24-21-16)19(3,4)5/h12,14-15,20H,6-11,13H2,1-5H3/t14-,15-/m0/s1
InChIKeyJMYWJBORTYGJCJ-GJZGRUSLSA-N
XLogP3.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide 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-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide (CID 26742881) is 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The InChIKey is JMYWJBORTYGJCJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-6-22(7-2)18(23)11-14-8-9-20-13-15(14)10-16-12-17(24-21-16)19(3,4)5/h12,14-15,20H,6-11,13H2,1-5H3/t14-,15-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide has a molecular weight of 335.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 26742881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).