3-pyrrolidin-2-yl-1,2,4-oxadiazole

C6H9N3O — CID 62390074

IUPAC3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1nc(C2CCCN2)no1
InChIInChI=1S/C6H9N3O/c1-2-5(7-3-1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKeyATFSESSLTKRXKN-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.49
Rot. Bonds1

About 3-pyrrolidin-2-yl-1,2,4-oxadiazole

3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 62390074) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID62390074
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1nc(C2CCCN2)no1
InChIInChI=1S/C6H9N3O/c1-2-5(7-3-1)6-8-4-10-9-6/h4-5,7H,1-3H2
InChIKeyATFSESSLTKRXKN-UHFFFAOYSA-N
XLogP0.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 62390074) is 3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrrolidin-2-yl-1,2,4-oxadiazole is c1nc(C2CCCN2)no1.
What is the InChIKey of 3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ATFSESSLTKRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-5(7-3-1)6-8-4-10-9-6/h4-5,7H,1-3H2.
What are the key properties of 3-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62390074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).