3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol

C12H15N5O2 — CID 106950381

IUPAC3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESCc1nccc(-c2noc(C3(O)CCCNC3)n2)n1
InChIInChI=1S/C12H15N5O2/c1-8-14-6-3-9(15-8)10-16-11(19-17-10)12(18)4-2-5-13-7-12/h3,6,13,18H,2,4-5,7H2,1H3
InChIKeyOIIXUIICZCXOFM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.41
Rot. Bonds2

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

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950381) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950381
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESCc1nccc(-c2noc(C3(O)CCCNC3)n2)n1
InChIInChI=1S/C12H15N5O2/c1-8-14-6-3-9(15-8)10-16-11(19-17-10)12(18)4-2-5-13-7-12/h3,6,13,18H,2,4-5,7H2,1H3
InChIKeyOIIXUIICZCXOFM-UHFFFAOYSA-N
XLogP0.41
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-ethylpyrrolidin-3-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529186
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950221
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743
ethyl 1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 115529500
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950434
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950381) is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is Cc1nccc(-c2noc(C3(O)CCCNC3)n2)n1.
What is the InChIKey of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is OIIXUIICZCXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-14-6-3-9(15-8)10-16-11(19-17-10)12(18)4-2-5-13-7-12/h3,6,13,18H,2,4-5,7H2,1H3.
What are the key properties of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 261.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).