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35143-75-0 molecular structure
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4-methyl-1,2-oxazol-5-amine

ChemBase ID: 285352
Molecular Formular: C4H6N2O
Molecular Mass: 98.10324
Monoisotopic Mass: 98.04801282
SMILES and InChIs

SMILES:
c1(c(onc1)N)C
Canonical SMILES:
Cc1cnoc1N
InChI:
InChI=1S/C4H6N2O/c1-3-2-6-7-4(3)5/h2H,5H2,1H3
InChIKey:
GYNLTWUPSJGXFV-UHFFFAOYSA-N

Cite this record

CBID:285352 http://www.chembase.cn/molecule-285352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-1,2-oxazol-5-amine
IUPAC Traditional name
4-methyl-1,2-oxazol-5-amine
Synonyms
4-methyl-1,2-oxazol-5-amine
4-methyl-5-isoxazolamine
CAS Number
35143-75-0
MDL Number
MFCD11878418
PubChem SID
180670883
PubChem CID
12559270

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12559270 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.111164  H Acceptors
H Donor LogD (pH = 5.5) 0.11148762 
LogD (pH = 7.4) 0.11157653  Log P 0.11157766 
Molar Refractivity 26.4949 cm3 Polarizability 9.260999 Å3
Polar Surface Area 52.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
59 - 61°C expand Show data source
Hydrophobicity(logP)
-0.012 expand Show data source
Purity
95% expand Show data source
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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