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

C9H13N3O — CID 58408502

IUPAC5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESC1CC(c2noc(C3CC3)n2)CN1
InChIInChI=1S/C9H13N3O/c1-2-6(1)9-11-8(12-13-9)7-3-4-10-5-7/h6-7,10H,1-5H2
InChIKeyBGQNKQMUVZCOAD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.02
Rot. Bonds2

About 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole

5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 58408502) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID58408502
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESC1CC(c2noc(C3CC3)n2)CN1
InChIInChI=1S/C9H13N3O/c1-2-6(1)9-11-8(12-13-9)7-3-4-10-5-7/h6-7,10H,1-5H2
InChIKeyBGQNKQMUVZCOAD-UHFFFAOYSA-N
XLogP1.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 58408502) is 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole is C1CC(c2noc(C3CC3)n2)CN1.
What is the InChIKey of 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is BGQNKQMUVZCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6(1)9-11-8(12-13-9)7-3-4-10-5-7/h6-7,10H,1-5H2.
What are the key properties of 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 179.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 58408502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).