5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine

C12H15N3O2 — CID 14915220

IUPAC5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCOc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C12H15N3O2/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15)
InChIKeyGXIQQCJUWDVEJP-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.50
Rot. Bonds5

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

5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 14915220) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID14915220
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCOc1ccc(-c2nnc(N)o2)cc1
InChIInChI=1S/C12H15N3O2/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15)
InChIKeyGXIQQCJUWDVEJP-UHFFFAOYSA-N
XLogP2.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 14915220) is 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine is CCCCOc1ccc(-c2nnc(N)o2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GXIQQCJUWDVEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15).
What are the key properties of 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 233.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 14915220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).