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681135-49-9 molecular structure
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5-(1-methyl-1H-imidazol-2-yl)-1,3-oxazole

ChemBase ID: 798993
Molecular Formular: C7H7N3O
Molecular Mass: 149.14998
Monoisotopic Mass: 149.05891186
SMILES and InChIs

SMILES:
o1cncc1c1n(ccn1)C
Canonical SMILES:
Cn1ccnc1c1cnco1
InChI:
InChI=1S/C7H7N3O/c1-10-3-2-9-7(10)6-4-8-5-11-6/h2-5H,1H3
InChIKey:
RDVIQCGECBBHNA-UHFFFAOYSA-N

Cite this record

CBID:798993 http://www.chembase.cn/molecule-798993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-methyl-1H-imidazol-2-yl)-1,3-oxazole
IUPAC Traditional name
5-(1-methylimidazol-2-yl)-1,3-oxazole
Synonyms
5-(1-methyl-1H-imidazol-2-yl)oxazole
CAS Number
681135-49-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13154 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13154 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) -0.090176284  LogD (pH = 7.4) -0.035636332 
Log P -0.034885384  Molar Refractivity 49.598 cm3
Polarizability 15.1783495 Å3 Polar Surface Area 43.85 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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