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

C13H16N4O2 — CID 106950055

IUPAC4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(Cc3ccccn3)no2)CCNCC1
InChIInChI=1S/C13H16N4O2/c18-13(4-7-14-8-5-13)12-16-11(17-19-12)9-10-3-1-2-6-15-10/h1-3,6,14,18H,4-5,7-9H2
InChIKeySBDMPINHEAFVBN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.63
Rot. Bonds3

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

4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950055) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950055
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(Cc3ccccn3)no2)CCNCC1
InChIInChI=1S/C13H16N4O2/c18-13(4-7-14-8-5-13)12-16-11(17-19-12)9-10-3-1-2-6-15-10/h1-3,6,14,18H,4-5,7-9H2
InChIKeySBDMPINHEAFVBN-UHFFFAOYSA-N
XLogP0.63
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950155
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442764
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950174
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743309
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950271
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689831
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950055) is 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is OC1(c2nc(Cc3ccccn3)no2)CCNCC1.
What is the InChIKey of 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is SBDMPINHEAFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(4-7-14-8-5-13)12-16-11(17-19-12)9-10-3-1-2-6-15-10/h1-3,6,14,18H,4-5,7-9H2.
What are the key properties of 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 260.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).