3-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

• ChemBase ID: 618629
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: n1c(oc(n1)C)c1cc(NC(=O)NCCCc2c(onc2C)C)c(cc1)C
• Canonical SMILES: O=C(Nc1cc(ccc1C)c1nnc(o1)C)NCCCc1c(C)noc1C
• InChI: InChI=1S/C19H23N5O3/c1-11-7-8-15(18-23-22-14(4)26-18)10-17(11)21-19(25)20-9-5-6-16-12(2)24-27-13(16)3/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,25)
• InChIKey: MNKLSPFHFPXXJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• IUPAC Traditional name: 3-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
• Synonyms: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-N'-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.4087
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8969083
• LogD (pH = 7.4): 1.8969616
• Log P: 1.8969626
• Molar Refractivity: 115.1553 cm^3
• Polarizability: 38.076355 Å^3
• Polar Surface Area: 106.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.67
• LOG S: -3.32
• Polar Surface Area: 106.08 Å^2
• Rotatable Bonds: 6