[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C13H20N2O2 — CID 92719861

IUPAC[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC[C@@H]2C)no1
InChIInChI=1S/C13H20N2O2/c1-3-6-11-9-12(14-17-11)13(16)15-8-5-4-7-10(15)2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyDIJLEXZHJKLYEH-JTQLQIEISA-N
MW236.31 g/mol
LogP2.64
Rot. Bonds3

About [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 92719861) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID92719861
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCC[C@@H]2C)no1
InChIInChI=1S/C13H20N2O2/c1-3-6-11-9-12(14-17-11)13(16)15-8-5-4-7-10(15)2/h9-10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyDIJLEXZHJKLYEH-JTQLQIEISA-N
XLogP2.64
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 46953255
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95802256
[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72903367
(6-chloro-2-methylpyrimidin-4-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 97458045
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 92719861) is [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC[C@@H]2C)no1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is DIJLEXZHJKLYEH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-11-9-12(14-17-11)13(16)15-8-5-4-7-10(15)2/h9-10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 92719861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).