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

C12H15N3O — CID 750624

IUPAC5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H15N3O/c1-12(2,3)8-10-14-11(15-16-10)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3
InChIKeyIGMKAIXLJHWGTI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.72
Rot. Bonds2

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

5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 750624) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID750624
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H15N3O/c1-12(2,3)8-10-14-11(15-16-10)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3
InChIKeyIGMKAIXLJHWGTI-UHFFFAOYSA-N
XLogP2.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 750624) is 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CC(C)(C)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is IGMKAIXLJHWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)8-10-14-11(15-16-10)9-6-4-5-7-13-9/h4-7H,8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 217.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 750624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).