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877-39-4 molecular structure
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4-methyl-2-phenyl-1,3-oxazole

ChemBase ID: 101118
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
n1c(occ1C)c1ccccc1
Canonical SMILES:
Cc1coc(n1)c1ccccc1
InChI:
InChI=1S/C10H9NO/c1-8-7-12-10(11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey:
KIDJISUVJMVGAN-UHFFFAOYSA-N

Cite this record

CBID:101118 http://www.chembase.cn/molecule-101118.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
IUPAC Traditional name
4-methyl-2-phenyl-1,3-oxazole
Synonyms
4-methyl-2-phenyl-1,3-oxazole
CAS Number
877-39-4
MDL Number
MFCD11055268
PubChem SID
162086720
PubChem CID
594333

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 594333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.071274  LogD (pH = 7.4) 2.0712776 
Log P 2.0712776  Molar Refractivity 56.4605 cm3
Polarizability 18.3588 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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