N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

• ChemBase ID: 284345
• Molecular Formular: C11H19N3O
• Molecular Mass: 209.28806
• Monoisotopic Mass: 209.15281224
• SMILES: n1c(oc(c1)CC)CN(C1CCNC1)C
• Canonical SMILES: CCc1cnc(o1)CN(C1CNCC1)C
• InChI: InChI=1S/C11H19N3O/c1-3-10-7-13-11(15-10)8-14(2)9-4-5-12-6-9/h7,9,12H,3-6,8H2,1-2H3
• InChIKey: VRPSSONSNPAVGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
• IUPAC Traditional name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
• Synonyms: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD22370003
• PubChem SID: 180669876
• PubChem CID: 73994623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0377648
• LogD (pH = 7.4): -2.7667148
• Log P: 0.23558259
• Molar Refractivity: 59.6018 cm^3
• Polarizability: 23.282743 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.368

Product Information

• Purity: 95%