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2-[(3-methoxyphenyl)methyl]-8-(1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 321649
Molecular Formular: C20H23N3O4
Molecular Mass: 369.41432
Monoisotopic Mass: 369.16885623
SMILES and InChIs

SMILES:
N1(C(=O)CC2(C1)CCN(C(=O)c1nocc1)CC2)Cc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CN1CC2(CC1=O)CCN(CC2)C(=O)c1nocc1
InChI:
InChI=1S/C20H23N3O4/c1-26-16-4-2-3-15(11-16)13-23-14-20(12-18(23)24)6-8-22(9-7-20)19(25)17-5-10-27-21-17/h2-5,10-11H,6-9,12-14H2,1H3
InChIKey:
UBRYTZZCABUTDY-UHFFFAOYSA-N

Cite this record

CBID:321649 http://www.chembase.cn/molecule-321649.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-methoxyphenyl)methyl]-8-(1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-[(3-methoxyphenyl)methyl]-8-(1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
8-(3-isoxazolylcarbonyl)-2-(3-methoxybenzyl)-2,8-diazaspiro[4.5]decan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.0284103  LogD (pH = 7.4) 1.0284104 
Log P 1.0284106  Molar Refractivity 99.6367 cm3
Polarizability 37.63823 Å3 Polar Surface Area 75.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.17  LOG S -3.06 
Polar Surface Area 75.88 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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