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

2-[(4-chlorophenyl)methyl]-8-(3-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 470421
Molecular Formular: C20H22ClN3O3
Molecular Mass: 387.85998
Monoisotopic Mass: 387.13496926
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(CN(C(=O)C3)Cc3ccc(Cl)cc3)CC2)onc(c1)C
Canonical SMILES:
Clc1ccc(cc1)CN1CC2(CC1=O)CCN(CC2)C(=O)c1onc(c1)C
InChI:
InChI=1S/C20H22ClN3O3/c1-14-10-17(27-22-14)19(26)23-8-6-20(7-9-23)11-18(25)24(13-20)12-15-2-4-16(21)5-3-15/h2-5,10H,6-9,11-13H2,1H3
InChIKey:
KPCNALVPIOFWQJ-UHFFFAOYSA-N

Cite this record

CBID:470421 http://www.chembase.cn/molecule-470421.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-chlorophenyl)methyl]-8-(3-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-[(4-chlorophenyl)methyl]-8-(3-methyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-(4-chlorobenzyl)-8-[(3-methylisoxazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33950760 external link Add to cart
Data Source Data ID Price
ChemBridge
33950760 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.4556462  LogD (pH = 7.4) 1.4556473 
Log P 1.4556473  Molar Refractivity 102.8193 cm3
Polarizability 38.761803 Å3 Polar Surface Area 66.65 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.77  LOG S -2.69 
Polar Surface Area 66.65 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