5-(morpholin-4-ylmethyl)-3-[(E)-[(2-nitrophenyl)methylidene]amino]-1,3-oxazolidin-2-one

• ChemBase ID: 157287
• Molecular Formular: C15H18N4O5
• Molecular Mass: 334.32722
• Monoisotopic Mass: 334.1277197
• SMILES: c1ccc(c(c1)/C=N/N1CC(OC1=O)CN1CCOCC1)[N+](=O)[O-]
• Canonical SMILES: O=C1OC(CN1/N=C/c1ccccc1[N+](=O)[O-])CN1CCOCC1
• InChI: InChI=1S/C15H18N4O5/c20-15-18(11-13(24-15)10-17-5-7-23-8-6-17)16-9-12-3-1-2-4-14(12)19(21)22/h1-4,9,13H,5-8,10-11H2
• InChIKey: PCYAMVONOKWOLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)-3-[(E)-[(2-nitrophenyl)methylidene]amino]-1,3-oxazolidin-2-one; 5-(morpholin-4-ylmethyl)-3-{[(2-nitrophenyl)methylidene]amino}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)-3-[(E)-[(2-nitrophenyl)methylidene]amino]-1,3-oxazolidin-2-one; 5-(morpholin-4-ylmethyl)-3-{[(2-nitrophenyl)methylidene]amino}-1,3-oxazolidin-2-one
• Synonyms: 2-NP-AMOZ; 5-(4-Morpholinylmethyl)-3-(2-nitrobenzylidenamino)-2-oxazolidinone; 5-(4-Morpholinylmethyl)-3-[[(2-nitrophenyl)methylene]amino]-2-oxazolidinone; 2-NP-AMOZ; 5-(Morpholinomethyl)-3-(2-nitrobenzylidenamino)-2-oxazolidinone; 2-NP-AMOZ; 5-(吗啉代甲基)-3-(2-硝基苄叉氨基)-2-噁唑烷酮

Database IDs

• CAS Number: 183193-59-1
• MDL Number: MFCD04973048
• PubChem SID: 162251424
• PubChem CID: 53393538

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.92985946
• LogD (pH = 7.4): 1.5617019
• Log P: 1.580298
• Molar Refractivity: 85.2006 cm^3
• Polarizability: 32.260628 Å^3
• Polar Surface Area: 97.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-148°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Grade: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C15H18N4O5

DETAILS

Sigma Aldrich - 33869

Other Notes
Derivatized standard for the assay of metabolites of furazolidone and furaltadone in animal tissue by LC/MS1
Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - N894950

A derivatized of AMOZ (A634600), a metabolite of Nitrofuran.

REFERENCES

• Vroomen, L., et al.: Toxicol. Appl. Pharmacol., 95, 53 (1988)
• Delatour, T., et al.: J. Agric. Food Chem., 51, 6371 (1988)
• Stadler, R., et al.: Analyst, 129, 276 (1988)