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

C8H11N5O2 — CID 63717385

IUPAC4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)c1noc(-c2nonc2N)n1
InChIInChI=1S/C8H11N5O2/c1-3-4(2)7-10-8(14-13-7)5-6(9)12-15-11-5/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyRIPMBTSSVHAPHT-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.22
Rot. Bonds3

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

4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 63717385) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID63717385
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)c1noc(-c2nonc2N)n1
InChIInChI=1S/C8H11N5O2/c1-3-4(2)7-10-8(14-13-7)5-6(9)12-15-11-5/h4H,3H2,1-2H3,(H2,9,12)
InChIKeyRIPMBTSSVHAPHT-UHFFFAOYSA-N
XLogP1.22
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805907
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62806086
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 55229788
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylaniline
CID 63717575
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808401
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
CID 82113932
4-bromo-2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63718145
2-bromo-6-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63719054
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 55229981
5-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631887
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 63717385) is 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is CCC(C)c1noc(-c2nonc2N)n1.
What is the InChIKey of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is RIPMBTSSVHAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-3-4(2)7-10-8(14-13-7)5-6(9)12-15-11-5/h4H,3H2,1-2H3,(H2,9,12).
What are the key properties of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 209.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 63717385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).