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

C12H15N3O — CID 82113932

IUPAC4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)c1ccc(-c2nonc2N)cc1
InChIInChI=1S/C12H15N3O/c1-3-8(2)9-4-6-10(7-5-9)11-12(13)15-16-14-11/h4-8H,3H2,1-2H3,(H2,13,15)
InChIKeyFEEQGTLKPJSUBE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.83
Rot. Bonds3

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

4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 82113932) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
PubChem CID82113932
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
SMILESCCC(C)c1ccc(-c2nonc2N)cc1
InChIInChI=1S/C12H15N3O/c1-3-8(2)9-4-6-10(7-5-9)11-12(13)15-16-14-11/h4-8H,3H2,1-2H3,(H2,13,15)
InChIKeyFEEQGTLKPJSUBE-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-butan-2-ylphenyl)-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

3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
CID 82358087
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501533
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 63717385
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
3-(4-butan-2-ylphenyl)-4,5-dimethylpyridazine
CID 157019762
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736
5-(4-butan-2-ylphenyl)-6-ethoxy-2-methylpyridin-3-amine
CID 174316832

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine (CID 82113932) is 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine is CCC(C)c1ccc(-c2nonc2N)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is FEEQGTLKPJSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8(2)9-4-6-10(7-5-9)11-12(13)15-16-14-11/h4-8H,3H2,1-2H3,(H2,13,15).
What are the key properties of 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine?
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 82113932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).