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N-[3-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide

ChemBase ID: 865975
Molecular Formular: C24H27N5O4
Molecular Mass: 449.50228
Monoisotopic Mass: 449.20630437
SMILES and InChIs

SMILES:
n1c(oc(c1CNC(=O)C(N1CCOCC1)C)C)c1cc(NC(=O)c2ncccc2)ccc1
Canonical SMILES:
O=C(C(N1CCOCC1)C)NCc1nc(oc1C)c1cccc(c1)NC(=O)c1ccccn1
InChI:
InChI=1S/C24H27N5O4/c1-16(29-10-12-32-13-11-29)22(30)26-15-21-17(2)33-24(28-21)18-6-5-7-19(14-18)27-23(31)20-8-3-4-9-25-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKey:
HVRSEGJCWBKQAT-UHFFFAOYSA-N

Cite this record

CBID:865975 http://www.chembase.cn/molecule-865975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide
IUPAC Traditional name
N-[3-(5-methyl-4-{[2-(morpholin-4-yl)propanamido]methyl}-1,3-oxazol-2-yl)phenyl]pyridine-2-carboxamide
Synonyms
N-{3-[5-methyl-4-({[2-(4-morpholinyl)propanoyl]amino}methyl)-1,3-oxazol-2-yl]phenyl}-2-pyridinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 11.910006  H Acceptors
H Donor LogD (pH = 5.5) 1.3858503 
LogD (pH = 7.4) 1.6624076  Log P 1.6673807 
Molar Refractivity 134.4157 cm3 Polarizability 47.506584 Å3
Polar Surface Area 109.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.79  LOG S -3.61 
Polar Surface Area 109.59 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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