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

C19H33N3O2 — CID 26742967

IUPAC2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(CC)CC)no1
InChIInChI=1S/C19H33N3O2/c1-4-7-8-18-13-17(21-24-18)11-16-14-20-10-9-15(16)12-19(23)22(5-2)6-3/h13,15-16,20H,4-12,14H2,1-3H3/t15-,16-/m0/s1
InChIKeyGAQFRAJQRVJIGY-HOTGVXAUSA-N
MW335.49 g/mol
LogP3.04
Rot. Bonds9

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

2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide (PubChem CID 26742967) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
PubChem CID26742967
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(CC)CC)no1
InChIInChI=1S/C19H33N3O2/c1-4-7-8-18-13-17(21-24-18)11-16-14-20-10-9-15(16)12-19(23)22(5-2)6-3/h13,15-16,20H,4-12,14H2,1-3H3/t15-,16-/m0/s1
InChIKeyGAQFRAJQRVJIGY-HOTGVXAUSA-N
XLogP3.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-(3-Methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]heptane
CID 21574409
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
1-(4-benzylpiperidin-1-yl)-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanone
CID 25313477
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 40777465
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)cyclohexane-1-carboxamide
CID 130191190
N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 25313431
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742891
N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26742919
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26742973
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742995
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 40777345

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide (CID 26742967) is 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide is CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(CC)CC)no1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
The InChIKey is GAQFRAJQRVJIGY-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-7-8-18-13-17(21-24-18)11-16-14-20-10-9-15(16)12-19(23)22(5-2)6-3/h13,15-16,20H,4-12,14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide?
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide has a molecular weight of 335.49 g/mol, XLogP of 3.04, 9 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-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 26742967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).