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953408-85-0 molecular structure
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4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde

ChemBase ID: 90352
Molecular Formular: C11H9NO2
Molecular Mass: 187.19466
Monoisotopic Mass: 187.06332853
SMILES and InChIs

SMILES:
n1c(c2ccccc2)oc(c1C)C=O
Canonical SMILES:
O=Cc1oc(nc1C)c1ccccc1
InChI:
InChI=1S/C11H9NO2/c1-8-10(7-13)14-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey:
NIYJTYPVRBYCEZ-UHFFFAOYSA-N

Cite this record

CBID:90352 http://www.chembase.cn/molecule-90352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde
IUPAC Traditional name
4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde
Synonyms
4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde
5-Formyl-4-methyl-2-phenyl-1,3-oxazole
4-Methyl-2-phenyl-1,3-oxazole-5-carboxaldehyde 95%
CAS Number
953408-85-0
MDL Number
MFCD11109318
PubChem SID
162077169
PubChem CID
26343583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 26343583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7037809  LogD (pH = 7.4) 1.7037811 
Log P 1.7037811  Molar Refractivity 62.922 cm3
Polarizability 20.250895 Å3 Polar Surface Area 43.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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