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N-[(2,5-dimethoxyphenyl)methyl]-3-(diphenylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

ChemBase ID: 510042
Molecular Formular: C26H26N2O4
Molecular Mass: 430.49564
Monoisotopic Mass: 430.18925732
SMILES and InChIs

SMILES:
C1(=NOC(C1)C(=O)NCc1c(ccc(c1)OC)OC)C(c1ccccc1)c1ccccc1
Canonical SMILES:
COc1ccc(c(c1)CNC(=O)C1ON=C(C1)C(c1ccccc1)c1ccccc1)OC
InChI:
InChI=1S/C26H26N2O4/c1-30-21-13-14-23(31-2)20(15-21)17-27-26(29)24-16-22(28-32-24)25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,24-25H,16-17H2,1-2H3,(H,27,29)
InChIKey:
FHJJKSQCMLEQNX-UHFFFAOYSA-N

Cite this record

CBID:510042 http://www.chembase.cn/molecule-510042.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,5-dimethoxyphenyl)methyl]-3-(diphenylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
IUPAC Traditional name
N-[(2,5-dimethoxyphenyl)methyl]-3-(diphenylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Synonyms
N-(2,5-dimethoxybenzyl)-3-(diphenylmethyl)-4,5-dihydro-5-isoxazolecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40461812 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 13.717471  H Acceptors
H Donor LogD (pH = 5.5) 4.4566817 
LogD (pH = 7.4) 4.4589663  Log P 4.458996 
Molar Refractivity 122.1183 cm3 Polarizability 47.491863 Å3
Polar Surface Area 69.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 5.0  LOG S -5.02 
Polar Surface Area 69.15 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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