cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C17H20N4O2 — CID 54585503

IUPACcyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H20N4O2/c22-17(12-6-5-7-12)21-11-4-2-9-14(21)16-19-15(20-23-16)13-8-1-3-10-18-13/h1,3,8,10,12,14H,2,4-7,9,11H2/t14-/m0/s1
InChIKeyYOFDQPGVWBYGBN-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.99
Rot. Bonds3

About cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 54585503) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID54585503
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namecyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H20N4O2/c22-17(12-6-5-7-12)21-11-4-2-9-14(21)16-19-15(20-23-16)13-8-1-3-10-18-13/h1,3,8,10,12,14H,2,4-7,9,11H2/t14-/m0/s1
InChIKeyYOFDQPGVWBYGBN-AWEZNQCLSA-N
XLogP2.99
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 54585503) is cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCCC[C@H]1c1nc(-c2ccccn2)no1.
What is the InChIKey of cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YOFDQPGVWBYGBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(12-6-5-7-12)21-11-4-2-9-14(21)16-19-15(20-23-16)13-8-1-3-10-18-13/h1,3,8,10,12,14H,2,4-7,9,11H2/t14-/m0/s1.
What are the key properties of cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 54585503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).