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6-(2-ethylpiperidine-1-carbonyl)-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole

ChemBase ID: 320618
Molecular Formular: C23H26N2O3
Molecular Mass: 378.46414
Monoisotopic Mass: 378.1943427
SMILES and InChIs

SMILES:
C(=O)(N1C(CC)CCCC1)c1cc2oc(nc2cc1)Cc1ccc(cc1)OC
Canonical SMILES:
CCC1CCCCN1C(=O)c1ccc2c(c1)oc(n2)Cc1ccc(cc1)OC
InChI:
InChI=1S/C23H26N2O3/c1-3-18-6-4-5-13-25(18)23(26)17-9-12-20-21(15-17)28-22(24-20)14-16-7-10-19(27-2)11-8-16/h7-12,15,18H,3-6,13-14H2,1-2H3
InChIKey:
BIUMLBUGXTXQEP-UHFFFAOYSA-N

Cite this record

CBID:320618 http://www.chembase.cn/molecule-320618.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-ethylpiperidine-1-carbonyl)-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole
IUPAC Traditional name
6-(2-ethylpiperidine-1-carbonyl)-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole
Synonyms
6-[(2-ethyl-1-piperidinyl)carbonyl]-2-(4-methoxybenzyl)-1,3-benzoxazole

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11031870 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 4.207052  LogD (pH = 7.4) 4.2070546 
Log P 4.2070546  Molar Refractivity 108.3055 cm3
Polarizability 42.69561 Å3 Polar Surface Area 55.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.17  LOG S -4.89 
Polar Surface Area 55.57 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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