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1123169-46-9 molecular structure
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(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanol

ChemBase ID: 308603
Molecular Formular: C6H8N2O2
Molecular Mass: 140.13992
Monoisotopic Mass: 140.05857751
SMILES and InChIs

SMILES:
n1c(noc1CO)C1CC1
Canonical SMILES:
OCc1onc(n1)C1CC1
InChI:
InChI=1S/C6H8N2O2/c9-3-5-7-6(8-10-5)4-1-2-4/h4,9H,1-3H2
InChIKey:
PGFKSKNXDXPOPA-UHFFFAOYSA-N

Cite this record

CBID:308603 http://www.chembase.cn/molecule-308603.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanol
IUPAC Traditional name
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanol
Synonyms
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanol
CAS Number
1123169-46-9
MDL Number
MFCD12138033

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4263878  LogD (pH = 7.4) 0.42638627 
Log P 0.42638782  Molar Refractivity 34.8406 cm3
Polarizability 12.725097 Å3 Polar Surface Area 59.15 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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