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1-[(4-methylphenyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

ChemBase ID: 420023
Molecular Formular: C17H21N3O2
Molecular Mass: 299.36754
Monoisotopic Mass: 299.16337693
SMILES and InChIs

SMILES:
n1c(C2CN(C(=O)C2)Cc2ccc(cc2)C)onc1CCC
Canonical SMILES:
CCCc1noc(n1)C1CC(=O)N(C1)Cc1ccc(cc1)C
InChI:
InChI=1S/C17H21N3O2/c1-3-4-15-18-17(22-19-15)14-9-16(21)20(11-14)10-13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey:
PVJLFNLZTUSILB-UHFFFAOYSA-N

Cite this record

CBID:420023 http://www.chembase.cn/molecule-420023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-methylphenyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
IUPAC Traditional name
1-[(4-methylphenyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
Synonyms
1-(4-methylbenzyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyrrolidinone

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) 3.0774362  LogD (pH = 7.4) 3.0774362 
Log P 3.0774362  Molar Refractivity 85.2177 cm3
Polarizability 31.93154 Å3 Polar Surface Area 59.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.55  LOG S -2.71 
Polar Surface Area 59.23 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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