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3383-42-4 molecular structure
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5-(4-nitrophenyl)-1,2-oxazole

ChemBase ID: 10283
Molecular Formular: C9H6N2O3
Molecular Mass: 190.15554
Monoisotopic Mass: 190.03784206
SMILES and InChIs

SMILES:
c1cc(on1)c1ccc(cc1)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccno1
InChI:
InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-6-10-14-9/h1-6H
InChIKey:
FVRVKMWZTNJREY-UHFFFAOYSA-N

Cite this record

CBID:10283 http://www.chembase.cn/molecule-10283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-nitrophenyl)-1,2-oxazole
IUPAC Traditional name
5-(4-nitrophenyl)-1,2-oxazole
Synonyms
5-(4-Nitrophenyl)isoxazole
5-(4-nitrophenyl)-1,2-oxazole
CAS Number
3383-42-4
MDL Number
MFCD02183547
PubChem SID
160973590
PubChem CID
2737065

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8449999  LogD (pH = 7.4) 1.8450018 
Log P 1.8450019  Molar Refractivity 49.8384 cm3
Polarizability 19.136185 Å3 Polar Surface Area 71.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.028 expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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