5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole

C16H21N3O — CID 83071041

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3cccc(C)c3)no2)CCCN1
InChIInChI=1S/C16H21N3O/c1-3-16(8-5-9-17-16)15-18-14(19-20-15)11-13-7-4-6-12(2)10-13/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3
InChIKeyGBZSLNALJXAUBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 83071041) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID83071041
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3cccc(C)c3)no2)CCCN1
InChIInChI=1S/C16H21N3O/c1-3-16(8-5-9-17-16)15-18-14(19-20-15)11-13-7-4-6-12(2)10-13/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3
InChIKeyGBZSLNALJXAUBP-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.96
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-methylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole (CID 83071041) is 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole is CCC1(c2nc(Cc3cccc(C)c3)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is GBZSLNALJXAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(8-5-9-17-16)15-18-14(19-20-15)11-13-7-4-6-12(2)10-13/h4,6-7,10,17H,3,5,8-9,11H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 271.36 g/mol, XLogP of 2.96, 4 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-methylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 83071041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).