1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C10H16N2O3 — CID 65328398

IUPAC1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C10H16N2O3/c1-2-7(13)6-9-11-10(12-15-9)8-4-3-5-14-8/h7-8,13H,2-6H2,1H3
InChIKeyWCFSZGWBWDYDFV-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 65328398) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID65328398
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCC(O)Cc1nc(C2CCCO2)no1
InChIInChI=1S/C10H16N2O3/c1-2-7(13)6-9-11-10(12-15-9)8-4-3-5-14-8/h7-8,13H,2-6H2,1H3
InChIKeyWCFSZGWBWDYDFV-UHFFFAOYSA-N
XLogP1.23
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328569
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
3,3-dimethyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65328682
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 65351655
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489
4-methyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328283
(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915770
[1-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 65330933
1,1,1-trifluoro-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79970410
5-(azepan-4-ylmethyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893836

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 65328398) is 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCC(O)Cc1nc(C2CCCO2)no1.
What is the InChIKey of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is WCFSZGWBWDYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-7(13)6-9-11-10(12-15-9)8-4-3-5-14-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 65328398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).