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

C11H18N2O3 — CID 103096510

IUPAC1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(C2COC(C)C2)n1
InChIInChI=1S/C11H18N2O3/c1-3-4-9(14)10-12-11(16-13-10)8-5-7(2)15-6-8/h7-9,14H,3-6H2,1-2H3
InChIKeyDMMNBWLTKXVVRJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.80
Rot. Bonds4

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

1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096510) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096510
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(C2COC(C)C2)n1
InChIInChI=1S/C11H18N2O3/c1-3-4-9(14)10-12-11(16-13-10)8-5-7(2)15-6-8/h7-9,14H,3-6H2,1-2H3
InChIKeyDMMNBWLTKXVVRJ-UHFFFAOYSA-N
XLogP1.80
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096510) is 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(C2COC(C)C2)n1.
What is the InChIKey of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is DMMNBWLTKXVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-9(14)10-12-11(16-13-10)8-5-7(2)15-6-8/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).