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

C21H24N4O4 — CID 25454607

IUPAC[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(N4CCCC[C@H]4CO)nc3)n2)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-17-8-5-7-16(19(17)28-2)20-23-21(29-24-20)14-9-10-18(22-12-14)25-11-4-3-6-15(25)13-26/h5,7-10,12,15,26H,3-4,6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyPVSSZFLGANWDDM-HNNXBMFYSA-N
MW396.45 g/mol
LogP3.17
Rot. Bonds6

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

[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol (PubChem CID 25454607) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
PubChem CID25454607
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
SMILESCOc1cccc(-c2noc(-c3ccc(N4CCCC[C@H]4CO)nc3)n2)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-17-8-5-7-16(19(17)28-2)20-23-21(29-24-20)14-9-10-18(22-12-14)25-11-4-3-6-15(25)13-26/h5,7-10,12,15,26H,3-4,6,11,13H2,1-2H3/t15-/m0/s1
InChIKeyPVSSZFLGANWDDM-HNNXBMFYSA-N
XLogP3.17
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 74810527
(3R)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 28922082
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
1-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]butan-2-ol
CID 45215862
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
3-(2,3-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46342204
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
N-cycloheptyl-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342176
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol (CID 25454607) is [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol is COc1cccc(-c2noc(-c3ccc(N4CCCC[C@H]4CO)nc3)n2)c1OC.
What is the InChIKey of [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is PVSSZFLGANWDDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-17-8-5-7-16(19(17)28-2)20-23-21(29-24-20)14-9-10-18(22-12-14)25-11-4-3-6-15(25)13-26/h5,7-10,12,15,26H,3-4,6,11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol?
[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 396.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 25454607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).