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

C13H15N3O3 — CID 136773857

IUPAC4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOC1(c2noc(-c3ccncc3O)n2)CCCC1
InChIInChI=1S/C13H15N3O3/c1-18-13(5-2-3-6-13)12-15-11(19-16-12)9-4-7-14-8-10(9)17/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeySTKWWUUJLBKVPQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.25
Rot. Bonds3

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

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 136773857) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID136773857
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOC1(c2noc(-c3ccncc3O)n2)CCCC1
InChIInChI=1S/C13H15N3O3/c1-18-13(5-2-3-6-13)12-15-11(19-16-12)9-4-7-14-8-10(9)17/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeySTKWWUUJLBKVPQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 136773857) is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is COC1(c2noc(-c3ccncc3O)n2)CCCC1.
What is the InChIKey of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is STKWWUUJLBKVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-13(5-2-3-6-13)12-15-11(19-16-12)9-4-7-14-8-10(9)17/h4,7-8,17H,2-3,5-6H2,1H3.
What are the key properties of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 261.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 136773857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).