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3-methyl-4-{1-[3-(propan-2-yl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl}-1,2,5-oxadiazole

ChemBase ID: 341757
Molecular Formular: C14H18N4O3
Molecular Mass: 290.31772
Monoisotopic Mass: 290.13789046
SMILES and InChIs

SMILES:
c1(C(=O)N2C(c3nonc3C)CCC2)cc(no1)C(C)C
Canonical SMILES:
O=C(N1CCCC1c1nonc1C)c1onc(c1)C(C)C
InChI:
InChI=1S/C14H18N4O3/c1-8(2)10-7-12(20-16-10)14(19)18-6-4-5-11(18)13-9(3)15-21-17-13/h7-8,11H,4-6H2,1-3H3
InChIKey:
HLUZOHXDHMLSOD-UHFFFAOYSA-N

Cite this record

CBID:341757 http://www.chembase.cn/molecule-341757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-4-{1-[3-(propan-2-yl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl}-1,2,5-oxadiazole
IUPAC Traditional name
3-[1-(3-isopropyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
Synonyms
3-{1-[(3-isopropyl-5-isoxazolyl)carbonyl]-2-pyrrolidinyl}-4-methyl-1,2,5-oxadiazole

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 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.0745907  LogD (pH = 7.4) 1.0745913 
Log P 1.0745913  Molar Refractivity 76.381 cm3
Polarizability 27.832754 Å3 Polar Surface Area 85.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.57  LOG S -2.14 
Polar Surface Area 85.26 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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