5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole

C10H11N3O — CID 662473

IUPAC5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccccn2)no1
InChIInChI=1S/C10H11N3O/c1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8/h3-7H,1-2H3
InChIKeyYPKNOOHWPOVIQH-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.26
Rot. Bonds2

About 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole

5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 662473) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID662473
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccccn2)no1
InChIInChI=1S/C10H11N3O/c1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8/h3-7H,1-2H3
InChIKeyYPKNOOHWPOVIQH-UHFFFAOYSA-N
XLogP2.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole (CID 662473) is 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole is CC(C)c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is YPKNOOHWPOVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)10-12-9(13-14-10)8-5-3-4-6-11-8/h3-7H,1-2H3.
What are the key properties of 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole?
5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 189.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 662473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).