2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

C14H17N3O2 — CID 75615258

IUPAC2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(C3CCN(C4CCC4)C3)o2)c1
InChIInChI=1S/C14H17N3O2/c1-3-11(4-1)17-7-6-10(9-17)13-15-16-14(19-13)12-5-2-8-18-12/h2,5,8,10-11H,1,3-4,6-7,9H2
InChIKeyFENGWRVJKLSFTG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.67
Rot. Bonds3

About 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole

2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 75615258) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID75615258
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(C3CCN(C4CCC4)C3)o2)c1
InChIInChI=1S/C14H17N3O2/c1-3-11(4-1)17-7-6-10(9-17)13-15-16-14(19-13)12-5-2-8-18-12/h2,5,8,10-11H,1,3-4,6-7,9H2
InChIKeyFENGWRVJKLSFTG-UHFFFAOYSA-N
XLogP2.67
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 75615258) is 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is c1coc(-c2nnc(C3CCN(C4CCC4)C3)o2)c1.
What is the InChIKey of 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is FENGWRVJKLSFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-11(4-1)17-7-6-10(9-17)13-15-16-14(19-13)12-5-2-8-18-12/h2,5,8,10-11H,1,3-4,6-7,9H2.
What are the key properties of 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).