1-(4,5-dihydro-1,3-oxazol-2-yl)piperazine

• ChemBase ID: 71217
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: O1C(=NCC1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)C1=NCCO1
• InChI: InChI=1S/C7H13N3O/c1-4-10(5-2-8-1)7-9-3-6-11-7/h8H,1-6H2
• InChIKey: KKWQVDHBPUSZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,5-dihydro-1,3-oxazol-2-yl)piperazine
• IUPAC Traditional name: 1-(4,5-dihydro-1,3-oxazol-2-yl)piperazine
• Synonyms: 2-(Piperazin-1-yl)-4,5-dihydrooxazole

Database IDs

• PubChem SID: 162103809
• PubChem CID: 22629346

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.353115
• LogD (pH = 7.4): -1.7488625
• Log P: -0.31842744
• Molar Refractivity: 42.29 cm^3
• Polarizability: 16.26416 Å^3
• Polar Surface Area: 36.86 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false