5-(4-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 240342
• Molecular Formular: C10H12N4O
• Molecular Mass: 204.22848
• Monoisotopic Mass: 204.10111102
• SMILES: o1c(nnc1c1ccc(N)cc1)N(C)C
• Canonical SMILES: Nc1ccc(cc1)c1nnc(o1)N(C)C
• InChI: InChI=1S/C10H12N4O/c1-14(2)10-13-12-9(15-10)7-3-5-8(11)6-4-7/h3-6H,11H2,1-2H3
• InChIKey: LSWJPMBYQNNEKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-(4-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
• Synonyms: 5-(4-aminophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine

Database IDs

• MDL Number: MFCD10021144
• PubChem SID: 164296252
• PubChem CID: 28720105

CALCULATED PROPERTIES

• Molar Refractivity: 70.6875 cm^3
• Polarizability: 21.670122 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94210786
• LogD (pH = 7.4): 0.9428147
• Log P: 0.9428237

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.723

Product Information

• Purity: 95%