1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol

C10H11N3O2 — CID 115079631

IUPAC1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
SMILESCC(O)Cc1noc(-c2ccncc2)n1
InChIInChI=1S/C10H11N3O2/c1-7(14)6-9-12-10(15-13-9)8-2-4-11-5-3-8/h2-5,7,14H,6H2,1H3
InChIKeyLVZBRNARZDXXEP-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.05
Rot. Bonds3

About 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol

1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol (PubChem CID 115079631) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
PubChem CID115079631
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
SMILESCC(O)Cc1noc(-c2ccncc2)n1
InChIInChI=1S/C10H11N3O2/c1-7(14)6-9-12-10(15-13-9)8-2-4-11-5-3-8/h2-5,7,14H,6H2,1H3
InChIKeyLVZBRNARZDXXEP-UHFFFAOYSA-N
XLogP1.05
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079297
2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 62653143
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
N-methyl-1-[5-[4-(pyridin-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869151
2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
CID 67586069
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 82281186
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The IUPAC name of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol (CID 115079631) is 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol is CC(O)Cc1noc(-c2ccncc2)n1.
What is the InChIKey of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The InChIKey is LVZBRNARZDXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)6-9-12-10(15-13-9)8-2-4-11-5-3-8/h2-5,7,14H,6H2,1H3.
What are the key properties of 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol?
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol has a molecular weight of 205.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol is sourced from PubChem (CID 115079631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).