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

Analyze 5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
2-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine
CID 2742571
4-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine
CID 877119
5-[(E)-2-phenylethenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5740237
2-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2264736
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3164328
4-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 2806704
5-Cyclohexyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 646251
5-(3-Phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
2-[5-(2-Phenylethyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 795427
5-(Phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole
CID 807554

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).