5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine

C11H14N4O — CID 149454712

IUPAC5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(C)c1ccc(-c2nc(N)no2)cn1
InChIInChI=1S/C11H14N4O/c1-3-7(2)9-5-4-8(6-13-9)10-14-11(12)15-16-10/h4-7H,3H2,1-2H3,(H2,12,15)
InChIKeyYYHYEHDXYDKMRD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.23
Rot. Bonds3

About 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine

5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine (PubChem CID 149454712) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine
PubChem CID149454712
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine
SMILESCCC(C)c1ccc(-c2nc(N)no2)cn1
InChIInChI=1S/C11H14N4O/c1-3-7(2)9-5-4-8(6-13-9)10-14-11(12)15-16-10/h4-7H,3H2,1-2H3,(H2,12,15)
InChIKeyYYHYEHDXYDKMRD-UHFFFAOYSA-N
XLogP2.23
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylaniline
CID 63717575
CID 175620660
CID 175620660
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
6-butan-2-yl-N,N-dimethylpyridin-3-amine
CID 134461277
2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
CID 89273799
2-bromo-6-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63719054
4-bromo-2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63718145
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 65416842
2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine
CID 123998942

Frequently Asked Questions

What is the IUPAC name of 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine (CID 149454712) is 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine is CCC(C)c1ccc(-c2nc(N)no2)cn1.
What is the InChIKey of 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is YYHYEHDXYDKMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-7(2)9-5-4-8(6-13-9)10-14-11(12)15-16-10/h4-7H,3H2,1-2H3,(H2,12,15).
What are the key properties of 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine?
5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-butan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 149454712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).