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N,N-dimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

ChemBase ID: 470548
Molecular Formular: C18H20N6O2
Molecular Mass: 352.3904
Monoisotopic Mass: 352.16477391
SMILES and InChIs

SMILES:
c1(c2c(on1)CCN(C2)Cc1nnn(c1)c1ccccc1)C(=O)N(C)C
Canonical SMILES:
CN(C(=O)c1noc2c1CN(CC2)Cc1nnn(c1)c1ccccc1)C
InChI:
InChI=1S/C18H20N6O2/c1-22(2)18(25)17-15-12-23(9-8-16(15)26-20-17)10-13-11-24(21-19-13)14-6-4-3-5-7-14/h3-7,11H,8-10,12H2,1-2H3
InChIKey:
VCBMFLAIDCMYBO-UHFFFAOYSA-N

Cite this record

CBID:470548 http://www.chembase.cn/molecule-470548.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
IUPAC Traditional name
N,N-dimethyl-5-[(1-phenyl-1,2,3-triazol-4-yl)methyl]-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
Synonyms
N,N-dimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33973574 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.0355949  LogD (pH = 7.4) 1.2025036 
Log P 1.2051066  Molar Refractivity 98.6491 cm3
Polarizability 36.726128 Å3 Polar Surface Area 80.29 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.84  LOG S -2.36 
Polar Surface Area 80.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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