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35258-88-9 molecular structure
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3,6-dimethyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

ChemBase ID: 309662
Molecular Formular: C7H7N3O2
Molecular Mass: 165.14938
Monoisotopic Mass: 165.05382648
SMILES and InChIs

SMILES:
c12c(c(=O)[nH]c(n1)C)c(no2)C
Canonical SMILES:
Cc1nc2onc(c2c(=O)[nH]1)C
InChI:
InChI=1S/C7H7N3O2/c1-3-5-6(11)8-4(2)9-7(5)12-10-3/h1-2H3,(H,8,9,11)
InChIKey:
YQCPZCSHXAGWGF-UHFFFAOYSA-N

Cite this record

CBID:309662 http://www.chembase.cn/molecule-309662.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6-dimethyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
IUPAC Traditional name
3,6-dimethyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
Synonyms
3,6-dimethylisoxazolo[5,4-d]pyrimidin-4(5H)-one
CAS Number
35258-88-9
MDL Number
MFCD20502911

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.64153254  LogD (pH = 7.4) -0.6553359 
Log P -0.6413529  Molar Refractivity 42.6767 cm3
Polarizability 14.720968 Å3 Polar Surface Area 67.49 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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