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1173097-59-0 molecular structure
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5-[morpholin-4-yl(2H2)methyl]-3-{[(2-nitrophenyl)methylidene]amino}(2H3)-1,3-oxazolidin-2-one

ChemBase ID: 157683
Molecular Formular: C15H18N4O5
Molecular Mass: 334.32722
Monoisotopic Mass: 334.1277197
SMILES and InChIs

SMILES:
C1C(OC(=O)N1/N=C/c1ccccc1[N+](=O)[O-])CN1CCOCC1
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

Cite this record

CBID:157683 http://www.chembase.cn/molecule-157683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[morpholin-4-yl(2H2)methyl]-3-{[(2-nitrophenyl)methylidene]amino}(2H3)-1,3-oxazolidin-2-one
5-[morpholin-4-yl(2H2)methyl]-3-[(E)-[(2-nitrophenyl)methylidene]amino](2H3)-1,3-oxazolidin-2-one
IUPAC Traditional name
5-[morpholin-4-yl(2H2)methyl]-3-{[(2-nitrophenyl)methylidene]amino}(2H3)-1,3-oxazolidin-2-one
5-[morpholin-4-yl(2H2)methyl]-3-[(E)-[(2-nitrophenyl)methylidene]amino](2H3)-1,3-oxazolidin-2-one
Synonyms
5-(Morpholinomethyl)-3-(2-nitrobenzylidenamino)-2-oxazolidinone-d5
2-NP-AMOZ-d5
5-(4-Morpholinylmethyl)-3-[[(2-nitrophenyl)methylene]amino]-2-oxazolidinone-d5
2-NP-AMOZ-d5
5-(吗啉代甲基)-3-(2-硝基苄叉氨基)-2-噁唑烷酮-d5
CAS Number
1173097-59-0
MDL Number
MFCD06656261
PubChem SID
162251820
PubChem CID
71312589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71312589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.92985916  LogD (pH = 7.4) 1.5617019 
Log P 1.580298  Molar Refractivity 86.2048 cm3
Polarizability 32.260643 Å3 Polar Surface Area 100.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Mass Shift
M+5 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Grade
VETRANAL™, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C15H13D5N4O5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 34009 external link
Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC
Toronto Research Chemicals - N894952 external link
A labelled derivatized of AMOZ (A634600), a metabolite of Nitrofuran.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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