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

C11H13N3O2 — CID 63345489

IUPAC4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H13N3O2/c1-8(15)5-6-10-13-11(14-16-10)9-4-2-3-7-12-9/h2-4,7-8,15H,5-6H2,1H3
InChIKeyDAYFLHDVKNUKQI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.45
Rot. Bonds4

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

4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345489) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345489
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H13N3O2/c1-8(15)5-6-10-13-11(14-16-10)9-4-2-3-7-12-9/h2-4,7-8,15H,5-6H2,1H3
InChIKeyDAYFLHDVKNUKQI-UHFFFAOYSA-N
XLogP1.45
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
CID 66235085
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345489) is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is DAYFLHDVKNUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)5-6-10-13-11(14-16-10)9-4-2-3-7-12-9/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).