5-cyclopropyl-1,2-oxazole-3-carbohydrazide

• ChemBase ID: 51087
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(noc(c1)C1CC1)C(=O)NN
• Canonical SMILES: NNC(=O)c1noc(c1)C1CC1
• InChI: InChI=1S/C7H9N3O2/c8-9-7(11)5-3-6(12-10-5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11)
• InChIKey: RCQDEQWJICVPOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1,2-oxazole-3-carbohydrazide
• IUPAC Traditional name: 5-cyclopropyl-1,2-oxazole-3-carbohydrazide
• Synonyms: 5-Cyclopropyl-3-isoxazolecarbohydrazide

Database IDs

• MDL Number: MFCD11643830
• PubChem SID: 162055850
• PubChem CID: 43237127

CALCULATED PROPERTIES

• Acid pKa: 11.903503
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.099309646
• LogD (pH = 7.4): -0.09888091
• Log P: -0.098863214
• Molar Refractivity: 43.0336 cm^3
• Polarizability: 15.408704 Å^3
• Polar Surface Area: 81.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false