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N-cycloheptyl-5-(2-methoxyphenoxymethyl)-1,2-oxazole-3-carboxamide
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ChemBase ID:
322654
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Molecular Formular:
C19H24N2O4
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Molecular Mass:
344.40486
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Monoisotopic Mass:
344.17360726
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SMILES and InChIs
SMILES:
c1(noc(c1)COc1c(OC)cccc1)C(=O)NC1CCCCCC1
Canonical SMILES:
COc1ccccc1OCc1onc(c1)C(=O)NC1CCCCCC1
InChI:
InChI=1S/C19H24N2O4/c1-23-17-10-6-7-11-18(17)24-13-15-12-16(21-25-15)19(22)20-14-8-4-2-3-5-9-14/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,20,22)
InChIKey:
DXCRFTMGXALUSE-UHFFFAOYSA-N
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Cite this record
CBID:322654 http://www.chembase.cn/molecule-322654.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-cycloheptyl-5-(2-methoxyphenoxymethyl)-1,2-oxazole-3-carboxamide
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IUPAC Traditional name
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N-cycloheptyl-5-(2-methoxyphenoxymethyl)-1,2-oxazole-3-carboxamide
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Synonyms
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N-cycloheptyl-5-[(2-methoxyphenoxy)methyl]-3-isoxazolecarboxamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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12.301815
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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3.3709288
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LogD (pH = 7.4)
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3.370924
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Log P
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3.3709288
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Molar Refractivity
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94.1348 cm3
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Polarizability
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35.9694 Å3
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Polar Surface Area
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73.59 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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3.66
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LOG S
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-4.69
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Polar Surface Area
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73.59 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent