N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide hydrochloride

• ChemBase ID: 243633
• Molecular Formular: C10H16ClN3O3
• Molecular Mass: 261.70534
• Monoisotopic Mass: 261.08801907
• SMILES: c1(C(=O)NC2[C@H](CNC2)OC)onc(c1)C.Cl
• Canonical SMILES: CO[C@H]1CNCC1NC(=O)c1onc(c1)C.Cl
• InChI: InChI=1S/C10H15N3O3.ClH/c1-6-3-8(16-13-6)10(14)12-7-4-11-5-9(7)15-2;/h3,7,9,11H,4-5H2,1-2H3,(H,12,14);1H/t7?,9-;/m0./s1
• InChIKey: FKNNNMXQIGZUAI-ABKGKFHGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide hydrochloride
• IUPAC Traditional name: N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide hydrochloride
• Synonyms: N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD22578721
• PubChem SID: 164299543
• PubChem CID: 71757303

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.184757
• LogD (pH = 7.4): -3.1590507
• Log P: -1.1069987
• Molar Refractivity: 57.0834 cm^3
• Polarizability: 21.712505 Å^3
• Polar Surface Area: 76.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.57488

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%