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

C11H18N2O3 — CID 103096278

IUPAC1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(CCC2CCCO2)n1
InChIInChI=1S/C11H18N2O3/c1-2-9(14)11-12-10(16-13-11)6-5-8-4-3-7-15-8/h8-9,14H,2-7H2,1H3
InChIKeyYIGFLYKYVUYKPA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.62
Rot. Bonds5

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

1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol (PubChem CID 103096278) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
PubChem CID103096278
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
SMILESCCC(O)c1noc(CCC2CCCO2)n1
InChIInChI=1S/C11H18N2O3/c1-2-9(14)11-12-10(16-13-11)6-5-8-4-3-7-15-8/h8-9,14H,2-7H2,1H3
InChIKeyYIGFLYKYVUYKPA-UHFFFAOYSA-N
XLogP1.62
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
CID 65165219
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704265
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
1-[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096225
2-(oxolan-2-ylmethyl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111111936
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634060
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol?
The IUPAC name of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol (CID 103096278) is 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol is CCC(O)c1noc(CCC2CCCO2)n1.
What is the InChIKey of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol?
The InChIKey is YIGFLYKYVUYKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-9(14)11-12-10(16-13-11)6-5-8-4-3-7-15-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol?
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol is sourced from PubChem (CID 103096278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).