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

C19H16F2N4O2 — CID 15948583

IUPAC(2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C19H16F2N4O2/c20-13-6-7-14(15(21)10-13)19(26)25-9-3-4-12(11-25)18-23-17(24-27-18)16-5-1-2-8-22-16/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1
InChIKeyMLTBZEPGVPQYGS-LBPRGKRZSA-N
MW370.36 g/mol
LogP3.43
Rot. Bonds3

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

(2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 15948583) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID15948583
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C19H16F2N4O2/c20-13-6-7-14(15(21)10-13)19(26)25-9-3-4-12(11-25)18-23-17(24-27-18)16-5-1-2-8-22-16/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1
InChIKeyMLTBZEPGVPQYGS-LBPRGKRZSA-N
XLogP3.43
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 15948583) is (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1.
What is the InChIKey of (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MLTBZEPGVPQYGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-13-6-7-14(15(21)10-13)19(26)25-9-3-4-12(11-25)18-23-17(24-27-18)16-5-1-2-8-22-16/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1.
What are the key properties of (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 370.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 15948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).