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

C10H11N3O — CID 177017103

IUPAC2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCCCc1ccc(-c2nnco2)nc1
InChIInChI=1S/C10H11N3O/c1-2-3-8-4-5-9(11-6-8)10-13-12-7-14-10/h4-7H,2-3H2,1H3
InChIKeyVYXYCAUVKPHXKB-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.08
Rot. Bonds3

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

2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 177017103) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID177017103
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCCCc1ccc(-c2nnco2)nc1
InChIInChI=1S/C10H11N3O/c1-2-3-8-4-5-9(11-6-8)10-13-12-7-14-10/h4-7H,2-3H2,1H3
InChIKeyVYXYCAUVKPHXKB-UHFFFAOYSA-N
XLogP2.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole (CID 177017103) is 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole is CCCc1ccc(-c2nnco2)nc1.
What is the InChIKey of 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is VYXYCAUVKPHXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-3-8-4-5-9(11-6-8)10-13-12-7-14-10/h4-7H,2-3H2,1H3.
What are the key properties of 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole?
2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 189.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 177017103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).