5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole

C13H23N3O — CID 83070737

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CCC(C)C)no2)CCCN1
InChIInChI=1S/C13H23N3O/c1-4-13(8-5-9-14-13)12-15-11(16-17-12)7-6-10(2)3/h10,14H,4-9H2,1-3H3
InChIKeyZCYUCRCSBUACCM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.65
Rot. Bonds5

About 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole (PubChem CID 83070737) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
PubChem CID83070737
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CCC(C)C)no2)CCCN1
InChIInChI=1S/C13H23N3O/c1-4-13(8-5-9-14-13)12-15-11(16-17-12)7-6-10(2)3/h10,14H,4-9H2,1-3H3
InChIKeyZCYUCRCSBUACCM-UHFFFAOYSA-N
XLogP2.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole (CID 83070737) is 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole is CCC1(c2nc(CCC(C)C)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole?
The InChIKey is ZCYUCRCSBUACCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-13(8-5-9-14-13)12-15-11(16-17-12)7-6-10(2)3/h10,14H,4-9H2,1-3H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).