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

C19H18N4O2 — CID 71654499

IUPAC[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H18N4O2/c24-19(16-10-4-5-11-20-16)23-12-6-9-15(13-23)18-21-17(22-25-18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1
InChIKeyAELVKUKNGJNLNR-HNNXBMFYSA-N
MW334.38 g/mol
LogP3.15
Rot. Bonds3

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

[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 71654499) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID71654499
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H18N4O2/c24-19(16-10-4-5-11-20-16)23-12-6-9-15(13-23)18-21-17(22-25-18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1
InChIKeyAELVKUKNGJNLNR-HNNXBMFYSA-N
XLogP3.15
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 71654499) is [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is AELVKUKNGJNLNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(16-10-4-5-11-20-16)23-12-6-9-15(13-23)18-21-17(22-25-18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 71654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).