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2-ethyl-4-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]-1,3-oxazole-5-carboxamide

ChemBase ID: 341206
Molecular Formular: C13H21N3O4S
Molecular Mass: 315.38854
Monoisotopic Mass: 315.12527717
SMILES and InChIs

SMILES:
c1(c(nc(o1)CC)C)C(=O)NCCS(=O)(=O)N1CCCC1
Canonical SMILES:
CCc1oc(c(n1)C)C(=O)NCCS(=O)(=O)N1CCCC1
InChI:
InChI=1S/C13H21N3O4S/c1-3-11-15-10(2)12(20-11)13(17)14-6-9-21(18,19)16-7-4-5-8-16/h3-9H2,1-2H3,(H,14,17)
InChIKey:
DXWQBRUOTCQGHW-UHFFFAOYSA-N

Cite this record

CBID:341206 http://www.chembase.cn/molecule-341206.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-4-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]-1,3-oxazole-5-carboxamide
IUPAC Traditional name
2-ethyl-4-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]-1,3-oxazole-5-carboxamide
Synonyms
2-ethyl-4-methyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1,3-oxazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13987051 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)
Acid pKa 13.927714  H Acceptors
H Donor LogD (pH = 5.5) -0.8370109 
LogD (pH = 7.4) -0.8370103  Log P -0.8370102 
Molar Refractivity 77.8352 cm3 Polarizability 30.29769 Å3
Polar Surface Area 92.51 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.21  LOG S -2.63 
Polar Surface Area 92.51 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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