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N-{4-[5-methyl-4-({[(1R,2S)-2-propylcyclopropyl]formamido}methyl)-1,3-oxazol-2-yl]phenyl}pyridine-3-carboxamide

ChemBase ID: 340924
Molecular Formular: C24H26N4O3
Molecular Mass: 418.48824
Monoisotopic Mass: 418.20049071
SMILES and InChIs

SMILES:
n1c(oc(c1CNC(=O)[C@@H]1C[C@@H]1CCC)C)c1ccc(NC(=O)c2cnccc2)cc1
Canonical SMILES:
CCC[C@H]1C[C@H]1C(=O)NCc1nc(oc1C)c1ccc(cc1)NC(=O)c1cccnc1
InChI:
InChI=1S/C24H26N4O3/c1-3-5-17-12-20(17)23(30)26-14-21-15(2)31-24(28-21)16-7-9-19(10-8-16)27-22(29)18-6-4-11-25-13-18/h4,6-11,13,17,20H,3,5,12,14H2,1-2H3,(H,26,30)(H,27,29)/t17-,20+/m0/s1
InChIKey:
VTFJXTISUFWILQ-FXAWDEMLSA-N

Cite this record

CBID:340924 http://www.chembase.cn/molecule-340924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{4-[5-methyl-4-({[(1R,2S)-2-propylcyclopropyl]formamido}methyl)-1,3-oxazol-2-yl]phenyl}pyridine-3-carboxamide
IUPAC Traditional name
N-{4-[5-methyl-4-({[(1R,2S)-2-propylcyclopropyl]formamido}methyl)-1,3-oxazol-2-yl]phenyl}pyridine-3-carboxamide
Synonyms
N-(4-{5-methyl-4-[({[(1R*,2S*)-2-propylcyclopropyl]carbonyl}amino)methyl]-1,3-oxazol-2-yl}phenyl)nicotinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13947671 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 12.614765  H Acceptors
H Donor LogD (pH = 5.5) 2.9917724 
LogD (pH = 7.4) 2.9956682  Log P 2.9957206 
Molar Refractivity 128.9401 cm3 Polarizability 45.268024 Å3
Polar Surface Area 97.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.69  LOG S -6.25 
Polar Surface Area 97.12 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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