(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol

C19H20N4O2 — CID 95895530

IUPAC(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
SMILESCc1ccccc1-c1noc(-c2ccc(N3CCC[C@H](O)C3)nc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-5-2-3-7-16(13)18-21-19(25-22-18)14-8-9-17(20-11-14)23-10-4-6-15(24)12-23/h2-3,5,7-9,11,15,24H,4,6,10,12H2,1H3/t15-/m0/s1
InChIKeyZPXSYJFEOMSOPK-HNNXBMFYSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds3

About (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol

(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol (PubChem CID 95895530) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
PubChem CID95895530
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
SMILESCc1ccccc1-c1noc(-c2ccc(N3CCC[C@H](O)C3)nc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-5-2-3-7-16(13)18-21-19(25-22-18)14-8-9-17(20-11-14)23-10-4-6-15(24)12-23/h2-3,5,7-9,11,15,24H,4,6,10,12H2,1H3/t15-/m0/s1
InChIKeyZPXSYJFEOMSOPK-HNNXBMFYSA-N
XLogP3.07
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol (CID 95895530) is (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol is Cc1ccccc1-c1noc(-c2ccc(N3CCC[C@H](O)C3)nc2)n1.
What is the InChIKey of (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is ZPXSYJFEOMSOPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-5-2-3-7-16(13)18-21-19(25-22-18)14-8-9-17(20-11-14)23-10-4-6-15(24)12-23/h2-3,5,7-9,11,15,24H,4,6,10,12H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol?
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 336.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 95895530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).