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methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate

ChemBase ID: 340243
Molecular Formular: C15H21N3O4
Molecular Mass: 307.34494
Monoisotopic Mass: 307.15320617
SMILES and InChIs

SMILES:
c1(nc(oc1)CN1CCC(N2C(=O)CCC2)CC1)C(=O)OC
Canonical SMILES:
COC(=O)c1coc(n1)CN1CCC(CC1)N1CCCC1=O
InChI:
InChI=1S/C15H21N3O4/c1-21-15(20)12-10-22-13(16-12)9-17-7-4-11(5-8-17)18-6-2-3-14(18)19/h10-11H,2-9H2,1H3
InChIKey:
MGPHSUNXDANHPL-UHFFFAOYSA-N

Cite this record

CBID:340243 http://www.chembase.cn/molecule-340243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate
IUPAC Traditional name
methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate
Synonyms
methyl 2-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl}-1,3-oxazole-4-carboxylate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13844825 external link Add to cart
Data Source Data ID Price
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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) -1.136898  LogD (pH = 7.4) -0.24025384 
Log P -0.40026885  Molar Refractivity 78.908 cm3
Polarizability 30.515932 Å3 Polar Surface Area 75.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.1  LOG S -2.67 
Polar Surface Area 75.88 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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