2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole

C10H9N3O — CID 90728853

IUPAC2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESc1nnc(-c2ccc(C3CC3)cn2)o1
InChIInChI=1S/C10H9N3O/c1-2-7(1)8-3-4-9(11-5-8)10-13-12-6-14-10/h3-7H,1-2H2
InChIKeyGDBAZBRWRDSEJR-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.01
Rot. Bonds2

About 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole

2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 90728853) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID90728853
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESc1nnc(-c2ccc(C3CC3)cn2)o1
InChIInChI=1S/C10H9N3O/c1-2-7(1)8-3-4-9(11-5-8)10-13-12-6-14-10/h3-7H,1-2H2
InChIKeyGDBAZBRWRDSEJR-UHFFFAOYSA-N
XLogP2.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole (CID 90728853) is 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole is c1nnc(-c2ccc(C3CC3)cn2)o1.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is GDBAZBRWRDSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-7(1)8-3-4-9(11-5-8)10-13-12-6-14-10/h3-7H,1-2H2.
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole?
2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 187.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90728853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).