Home > Compound List > Compound details
 molecular structure
click picture or here to close

N-methyl-5-(phenoxymethyl)-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazole-3-carboxamide

ChemBase ID: 340792
Molecular Formular: C18H21N5O3
Molecular Mass: 355.39104
Monoisotopic Mass: 355.16443956
SMILES and InChIs

SMILES:
c1(n[nH]c(c1)COc1ccccc1)C(=O)N(Cc1nc(no1)C(C)C)C
Canonical SMILES:
CN(C(=O)c1n[nH]c(c1)COc1ccccc1)Cc1onc(n1)C(C)C
InChI:
InChI=1S/C18H21N5O3/c1-12(2)17-19-16(26-22-17)10-23(3)18(24)15-9-13(20-21-15)11-25-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKey:
MZNOTBALULKPPP-UHFFFAOYSA-N

Cite this record

CBID:340792 http://www.chembase.cn/molecule-340792.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-5-(phenoxymethyl)-N-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazole-3-carboxamide
IUPAC Traditional name
N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
Synonyms
N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13929658 external link Add to cart
Data Source Data ID Price
ChemBridge
13929658 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.078697  H Acceptors
H Donor LogD (pH = 5.5) 2.731966 
LogD (pH = 7.4) 2.7310948  Log P 2.7319784 
Molar Refractivity 97.58 cm3 Polarizability 35.970287 Å3
Polar Surface Area 97.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.48  LOG S -2.2 
Polar Surface Area 97.14 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle