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

C20H22N4O3 — CID 25378184

IUPAC[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1
InChIInChI=1S/C20H22N4O3/c25-13-15-5-4-10-24(12-15)19-9-8-16(11-21-19)20-22-18(23-27-20)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15,25H,4-5,10,12-14H2/t15-/m0/s1
InChIKeyFAOPSLRLKNVHCU-HNNXBMFYSA-N
MW366.42 g/mol
LogP2.92
Rot. Bonds6

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

[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 25378184) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID25378184
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1
InChIInChI=1S/C20H22N4O3/c25-13-15-5-4-10-24(12-15)19-9-8-16(11-21-19)20-22-18(23-27-20)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15,25H,4-5,10,12-14H2/t15-/m0/s1
InChIKeyFAOPSLRLKNVHCU-HNNXBMFYSA-N
XLogP2.92
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol (CID 25378184) is [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1.
What is the InChIKey of [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is FAOPSLRLKNVHCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-13-15-5-4-10-24(12-15)19-9-8-16(11-21-19)20-22-18(23-27-20)14-26-17-6-2-1-3-7-17/h1-3,6-9,11,15,25H,4-5,10,12-14H2/t15-/m0/s1.
What are the key properties of [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol?
[(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 366.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 25378184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).