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885274-73-7 molecular structure
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ethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate

ChemBase ID: 810981
Molecular Formular: C12H12N2O3
Molecular Mass: 232.23528
Monoisotopic Mass: 232.08479225
SMILES and InChIs

SMILES:
o1c(nc(c1)C(=O)OCC)c1cc(ccc1)N
Canonical SMILES:
CCOC(=O)c1coc(n1)c1cccc(c1)N
InChI:
InChI=1S/C12H12N2O3/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2,13H2,1H3
InChIKey:
IYMMHVKKUAJPHJ-UHFFFAOYSA-N

Cite this record

CBID:810981 http://www.chembase.cn/molecule-810981.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
IUPAC Traditional name
ethyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
Synonyms
2-(3-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number
885274-73-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29977 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29977 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8556143  LogD (pH = 7.4) 1.8570977 
Log P 1.6571168  Molar Refractivity 72.9713 cm3
Polarizability 24.010998 Å3 Polar Surface Area 78.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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