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

C15H17N3O3 — CID 95110723

IUPAC[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O3/c19-15(11-6-8-20-9-11)18-7-2-1-3-12(18)14-16-13(17-21-14)10-4-5-10/h6,8-10,12H,1-5,7H2/t12-/m0/s1
InChIKeyDORPPIANKFRELC-LBPRGKRZSA-N
MW287.32 g/mol
LogP2.91
Rot. Bonds3

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

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 95110723) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID95110723
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17N3O3/c19-15(11-6-8-20-9-11)18-7-2-1-3-12(18)14-16-13(17-21-14)10-4-5-10/h6,8-10,12H,1-5,7H2/t12-/m0/s1
InChIKeyDORPPIANKFRELC-LBPRGKRZSA-N
XLogP2.91
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 95110723) is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is DORPPIANKFRELC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(11-6-8-20-9-11)18-7-2-1-3-12(18)14-16-13(17-21-14)10-4-5-10/h6,8-10,12H,1-5,7H2/t12-/m0/s1.
What are the key properties of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 95110723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).