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

C18H21N3O2 — CID 812579

IUPACcyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H21N3O2/c22-18(14-8-4-9-14)21-11-5-10-15(12-21)17-19-16(20-23-17)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t15-/m0/s1
InChIKeyWGWINWWLYHNVBM-HNNXBMFYSA-N
MW311.38 g/mol
LogP3.24
Rot. Bonds3

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

cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 812579) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID812579
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namecyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H21N3O2/c22-18(14-8-4-9-14)21-11-5-10-15(12-21)17-19-16(20-23-17)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t15-/m0/s1
InChIKeyWGWINWWLYHNVBM-HNNXBMFYSA-N
XLogP3.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 812579) is cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WGWINWWLYHNVBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(14-8-4-9-14)21-11-5-10-15(12-21)17-19-16(20-23-17)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t15-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).