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N-ethyl-4-hydroxy-2-(4-methylphenyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

ChemBase ID: 320662
Molecular Formular: C20H23N5O3
Molecular Mass: 381.42832
Monoisotopic Mass: 381.18008962
SMILES and InChIs

SMILES:
c1(C(=O)N(Cc2nc(on2)CCC)CC)c(nc(nc1)c1ccc(cc1)C)O
Canonical SMILES:
CCCc1onc(n1)CN(C(=O)c1cnc(nc1O)c1ccc(cc1)C)CC
InChI:
InChI=1S/C20H23N5O3/c1-4-6-17-22-16(24-28-17)12-25(5-2)20(27)15-11-21-18(23-19(15)26)14-9-7-13(3)8-10-14/h7-11H,4-6,12H2,1-3H3,(H,21,23,26)
InChIKey:
SNXKVJNTAHMYPI-UHFFFAOYSA-N

Cite this record

CBID:320662 http://www.chembase.cn/molecule-320662.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-4-hydroxy-2-(4-methylphenyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
IUPAC Traditional name
N-ethyl-4-hydroxy-2-(4-methylphenyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
Synonyms
N-ethyl-4-hydroxy-2-(4-methylphenyl)-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11036985 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)
Acid pKa 10.781008  H Acceptors
H Donor LogD (pH = 5.5) 4.7922397 
LogD (pH = 7.4) 4.7920675  Log P 4.7922435 
Molar Refractivity 117.4974 cm3 Polarizability 39.71721 Å3
Polar Surface Area 105.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.28  LOG S -3.93 
Polar Surface Area 105.24 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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