3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H19N3OS — CID 136543474

IUPAC3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCN1CCCC1c1nc(-c2sccc2C)no1
InChIInChI=1S/C14H19N3OS/c1-3-7-17-8-4-5-11(17)14-15-13(16-18-14)12-10(2)6-9-19-12/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyURELBAOCIZYQSO-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.65
Rot. Bonds4

About 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 136543474) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID136543474
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCN1CCCC1c1nc(-c2sccc2C)no1
InChIInChI=1S/C14H19N3OS/c1-3-7-17-8-4-5-11(17)14-15-13(16-18-14)12-10(2)6-9-19-12/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyURELBAOCIZYQSO-UHFFFAOYSA-N
XLogP3.65
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 136543474) is 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCN1CCCC1c1nc(-c2sccc2C)no1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is URELBAOCIZYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-7-17-8-4-5-11(17)14-15-13(16-18-14)12-10(2)6-9-19-12/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-5-(1-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136543474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).