5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C12H16N4O — CID 63892343

IUPAC5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC(C)(C)Cc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C12H16N4O/c1-12(2,3)5-10-15-11(17-16-10)8-4-9(13)7-14-6-8/h4,6-7H,5,13H2,1-3H3
InChIKeyHYZPQSGZTDYSHR-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.30
Rot. Bonds2

About 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 63892343) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID63892343
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC(C)(C)Cc1noc(-c2cncc(N)c2)n1
InChIInChI=1S/C12H16N4O/c1-12(2,3)5-10-15-11(17-16-10)8-4-9(13)7-14-6-8/h4,6-7H,5,13H2,1-3H3
InChIKeyHYZPQSGZTDYSHR-UHFFFAOYSA-N
XLogP2.30
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154328
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154240
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 63154285
5-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63890406
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 114329296
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 63891693
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63892975
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 63889986
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-iodophenol
CID 114103800
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 63890195

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 63892343) is 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CC(C)(C)Cc1noc(-c2cncc(N)c2)n1.
What is the InChIKey of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is HYZPQSGZTDYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,3)5-10-15-11(17-16-10)8-4-9(13)7-14-6-8/h4,6-7H,5,13H2,1-3H3.
What are the key properties of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 63892343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).