5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole

C9H14N2O2 — CID 126992893

IUPAC5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCC1OCCC1c1nc(C)no1
InChIInChI=1S/C9H14N2O2/c1-3-8-7(4-5-12-8)9-10-6(2)11-13-9/h7-8H,3-5H2,1-2H3
InChIKeyAOPUQOPBFDAKML-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole

5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 126992893) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID126992893
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCCC1OCCC1c1nc(C)no1
InChIInChI=1S/C9H14N2O2/c1-3-8-7(4-5-12-8)9-10-6(2)11-13-9/h7-8H,3-5H2,1-2H3
InChIKeyAOPUQOPBFDAKML-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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Related Compounds

3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
2-(2-ethyloxolan-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114106018
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
2-(2-ethyloxolan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114106019
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 130763039
CID 162193867
CID 162193867
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986
6-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150093
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole (CID 126992893) is 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole is CCC1OCCC1c1nc(C)no1.
What is the InChIKey of 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is AOPUQOPBFDAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-8-7(4-5-12-8)9-10-6(2)11-13-9/h7-8H,3-5H2,1-2H3.
What are the key properties of 5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(2-ethyloxolan-3-yl)-3-methyl-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-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126992893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).