N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrimidin-2-amine

• ChemBase ID: 693967
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: c1(noc(c1)c1ccccc1)C(=O)N1CCC(Nc2ncccn2)CC1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)N1CCC(CC1)Nc1ncccn1
• InChI: InChI=1S/C19H19N5O2/c25-18(16-13-17(26-23-16)14-5-2-1-3-6-14)24-11-7-15(8-12-24)22-19-20-9-4-10-21-19/h1-6,9-10,13,15H,7-8,11-12H2,(H,20,21,22)
• InChIKey: PRSZSPMESMGBIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrimidin-2-amine
• IUPAC Traditional name: N-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrimidin-2-amine
• Synonyms: N-{1-[(5-phenyl-3-isoxazolyl)carbonyl]-4-piperidinyl}-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.167865
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6235536
• LogD (pH = 7.4): 1.6267557
• Log P: 1.6267967
• Molar Refractivity: 99.3386 cm^3
• Polarizability: 37.5329 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.7
• LOG S: -2.35
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4