5-cyclopropyl-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 785668
• Molecular Formular: C16H16N2O2
• Molecular Mass: 268.31044
• Monoisotopic Mass: 268.12117776
• SMILES: c1(c(C2CC2)ocn1)C(=O)N[C@H]1[C@@H](C1)c1ccccc1
• Canonical SMILES: O=C(c1ncoc1C1CC1)N[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C16H16N2O2/c19-16(14-15(11-6-7-11)20-9-17-14)18-13-8-12(13)10-4-2-1-3-5-10/h1-5,9,11-13H,6-8H2,(H,18,19)/t12-,13+/m0/s1
• InChIKey: IKGYQCXTNDIHGY-QWHCGFSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide
• Synonyms: 5-cyclopropyl-N-[(1R*,2S*)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.270282
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9629759
• LogD (pH = 7.4): 1.9629759
• Log P: 1.9629759
• Molar Refractivity: 74.4914 cm^3
• Polarizability: 28.264341 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.68
• LOG S: -2.59
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 4