5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C14H19N3OS — CID 106983380

IUPAC5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(Cc3cccs3)no2)CCNC1
InChIInChI=1S/C14H19N3OS/c1-10(2)14(5-6-15-9-14)13-16-12(17-18-13)8-11-4-3-7-19-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyBWYAEBLAPGXVIT-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.61
Rot. Bonds4

About 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 106983380) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID106983380
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(Cc3cccs3)no2)CCNC1
InChIInChI=1S/C14H19N3OS/c1-10(2)14(5-6-15-9-14)13-16-12(17-18-13)8-11-4-3-7-19-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyBWYAEBLAPGXVIT-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 106983380) is 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is CC(C)C1(c2nc(Cc3cccs3)no2)CCNC1.
What is the InChIKey of 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BWYAEBLAPGXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)14(5-6-15-9-14)13-16-12(17-18-13)8-11-4-3-7-19-11/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106983380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).