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4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine

ChemBase ID: 340339
Molecular Formular: C21H23N3O3
Molecular Mass: 365.42562
Monoisotopic Mass: 365.17394161
SMILES and InChIs

SMILES:
n1c(onc1CN1CC(c2cc3c(cc(cc3)OC)cc2)OCC1)C1CC1
Canonical SMILES:
COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1noc(n1)C1CC1
InChI:
InChI=1S/C21H23N3O3/c1-25-18-7-6-15-10-17(5-4-16(15)11-18)19-12-24(8-9-26-19)13-20-22-21(27-23-20)14-2-3-14/h4-7,10-11,14,19H,2-3,8-9,12-13H2,1H3
InChIKey:
VBEUKRGFRLPLPP-UHFFFAOYSA-N

Cite this record

CBID:340339 http://www.chembase.cn/molecule-340339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
IUPAC Traditional name
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
Synonyms
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxy-2-naphthyl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) 3.3456213  LogD (pH = 7.4) 3.4169564 
Log P 3.4179459  Molar Refractivity 102.8381 cm3
Polarizability 40.452778 Å3 Polar Surface Area 60.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.86  LOG S -3.3 
Polar Surface Area 60.62 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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