5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole

C9H14N2O2 — CID 131065158

IUPAC5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
SMILESCCc1nc(C2(C)CCCO2)no1
InChIInChI=1S/C9H14N2O2/c1-3-7-10-8(11-13-7)9(2)5-4-6-12-9/h3-6H2,1-2H3
InChIKeyUUCNFMNGWVYISQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds2

About 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole

5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 131065158) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
PubChem CID131065158
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
SMILESCCc1nc(C2(C)CCCO2)no1
InChIInChI=1S/C9H14N2O2/c1-3-7-10-8(11-13-7)9(2)5-4-6-12-9/h3-6H2,1-2H3
InChIKeyUUCNFMNGWVYISQ-UHFFFAOYSA-N
XLogP1.66
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole (CID 131065158) is 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole is CCc1nc(C2(C)CCCO2)no1.
What is the InChIKey of 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is UUCNFMNGWVYISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7-10-8(11-13-7)9(2)5-4-6-12-9/h3-6H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole?
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131065158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).