3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C12H21N3O2 — CID 102781178

IUPAC3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2NCCC2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-8(2)6-7-13-9/h8-9,13H,5-7H2,1-4H3
InChIKeyFOKYNJJTFMATKU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.01
Rot. Bonds4

About 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102781178) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID102781178
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2NCCC2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-8(2)6-7-13-9/h8-9,13H,5-7H2,1-4H3
InChIKeyFOKYNJJTFMATKU-UHFFFAOYSA-N
XLogP2.01
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704462
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116733636
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116732734
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732745
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
3-(4-ethoxyoxan-4-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781193
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
CID 114513069
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578
3-(2-ethoxypropan-2-yl)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1,2,4-oxadiazole
CID 116704498
5-(azepan-2-yl)-3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazole
CID 116740654
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 102781178) is 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCOC(C)(C)c1noc(C2NCCC2C)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is FOKYNJJTFMATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-8(2)6-7-13-9/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102781178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).