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N-[3-(furan-2-yl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

ChemBase ID: 370584
Molecular Formular: C21H21N3O4
Molecular Mass: 379.40914
Monoisotopic Mass: 379.15320617
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC(C(=O)Nc3cc(c4occc4)ccc3)CC2)ncoc1C
Canonical SMILES:
O=C(C1CCN(CC1)C(=O)c1ncoc1C)Nc1cccc(c1)c1ccco1
InChI:
InChI=1S/C21H21N3O4/c1-14-19(22-13-28-14)21(26)24-9-7-15(8-10-24)20(25)23-17-5-2-4-16(12-17)18-6-3-11-27-18/h2-6,11-13,15H,7-10H2,1H3,(H,23,25)
InChIKey:
CEVJHQPDUDPQRO-UHFFFAOYSA-N

Cite this record

CBID:370584 http://www.chembase.cn/molecule-370584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(furan-2-yl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
IUPAC Traditional name
N-[3-(furan-2-yl)phenyl]-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
Synonyms
N-[3-(2-furyl)phenyl]-1-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-4-piperidinecarboxamide

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)
Acid pKa 13.778108  H Acceptors
H Donor LogD (pH = 5.5) 2.0134258 
LogD (pH = 7.4) 2.0134256  Log P 2.0134258 
Molar Refractivity 104.6032 cm3 Polarizability 39.852016 Å3
Polar Surface Area 88.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.26  LOG S -5.12 
Polar Surface Area 88.58 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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