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

• ChemBase ID: 284344
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: n1c(oc(c1)C)CN(C1CCNC1)C
• Canonical SMILES: CN(C1CNCC1)Cc1ncc(o1)C
• InChI: InChI=1S/C10H17N3O/c1-8-5-12-10(14-8)7-13(2)9-3-4-11-6-9/h5,9,11H,3-4,6-7H2,1-2H3
• InChIKey: JOYVKSVKGVYZCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392265
• PubChem SID: 180669875
• PubChem CID: 71873203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5610888
• LogD (pH = 7.4): -3.2892487
• Log P: -0.2869398
• Molar Refractivity: 55.0778 cm^3
• Polarizability: 21.443274 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.16

Product Information

• Purity: 95%