2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole

C13H15N3O — CID 68909666

IUPAC2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1ccccn1)c1nnc(C2CC2)o1
InChIInChI=1S/C13H15N3O/c1-13(2,10-5-3-4-8-14-10)12-16-15-11(17-12)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXLIQGIRXGKJQIR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.67
Rot. Bonds3

About 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole

2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole (PubChem CID 68909666) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
PubChem CID68909666
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)(c1ccccn1)c1nnc(C2CC2)o1
InChIInChI=1S/C13H15N3O/c1-13(2,10-5-3-4-8-14-10)12-16-15-11(17-12)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXLIQGIRXGKJQIR-UHFFFAOYSA-N
XLogP2.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole (CID 68909666) is 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole is CC(C)(c1ccccn1)c1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
The InChIKey is XLIQGIRXGKJQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2,10-5-3-4-8-14-10)12-16-15-11(17-12)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-pyridin-2-ylpropan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68909666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).