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

C12H21N3O2 — CID 116704462

IUPAC3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2CNCC2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-7-13-6-8(9)2/h8-9,13H,5-7H2,1-4H3
InChIKeyQNCTVIYZOFHWAW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.66
Rot. Bonds4

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

3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116704462) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116704462
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(C)c1noc(C2CNCC2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-7-13-6-8(9)2/h8-9,13H,5-7H2,1-4H3
InChIKeyQNCTVIYZOFHWAW-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781178
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700
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]-4-ethylcyclopentane-1-carboxylic acid
CID 114513069
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 64539424
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
3-(1-ethoxybutyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702223
3-cyclopropyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63721270
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116732734
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 114085836
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732745
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116704462) is 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC(C)(C)c1noc(C2CNCC2C)n1.
What is the InChIKey of 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QNCTVIYZOFHWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9-7-13-6-8(9)2/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(2-ethoxypropan-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 1.66, 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-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).