tert-butyl N-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}carbamate

• ChemBase ID: 272527
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: n1nc(oc1COc1ccc(NC(=O)OC(C)(C)C)cc1)C
• Canonical SMILES: O=C(OC(C)(C)C)Nc1ccc(cc1)OCc1nnc(o1)C
• InChI: InChI=1S/C15H19N3O4/c1-10-17-18-13(21-10)9-20-12-7-5-11(6-8-12)16-14(19)22-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,19)
• InChIKey: JNDKMMBSTZFXLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}carbamate
• IUPAC Traditional name: tert-butyl N-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}carbamate
• Synonyms: tert-butyl N-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl}carbamate

Database IDs

• MDL Number: MFCD18380709
• PubChem SID: 164328437
• PubChem CID: 50987766

CALCULATED PROPERTIES

• Acid pKa: 13.265627
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6286796
• LogD (pH = 7.4): 1.6286792
• Log P: 1.6286798
• Molar Refractivity: 82.1193 cm^3
• Polarizability: 30.470446 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.383

Product Information

• Purity: 95%