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

C12H16N4O — CID 113447842

IUPAC2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC(C)CCc1noc(-c2ncccc2N)n1
InChIInChI=1S/C12H16N4O/c1-8(2)5-6-10-15-12(17-16-10)11-9(13)4-3-7-14-11/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyKUGROYIDWWSVSX-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.30
Rot. Bonds4

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

2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 113447842) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID113447842
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC(C)CCc1noc(-c2ncccc2N)n1
InChIInChI=1S/C12H16N4O/c1-8(2)5-6-10-15-12(17-16-10)11-9(13)4-3-7-14-11/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyKUGROYIDWWSVSX-UHFFFAOYSA-N
XLogP2.30
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743005
2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742960
2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743029
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743031
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743037
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116703194
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742941
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 136984510
5-(3-amino-2-pyridinyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104743093
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 113447842) is 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CC(C)CCc1noc(-c2ncccc2N)n1.
What is the InChIKey of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is KUGROYIDWWSVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)5-6-10-15-12(17-16-10)11-9(13)4-3-7-14-11/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 113447842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).