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1-(1,3-oxazole-5-carbonyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

ChemBase ID: 460023
Molecular Formular: C19H18N4O3S
Molecular Mass: 382.43622
Monoisotopic Mass: 382.10996146
SMILES and InChIs

SMILES:
N1(C(=O)c2ocnc2)CC(C(=O)Nc2ccc(c3ncsc3)cc2)CCC1
Canonical SMILES:
O=C(C1CCCN(C1)C(=O)c1cnco1)Nc1ccc(cc1)c1cscn1
InChI:
InChI=1S/C19H18N4O3S/c24-18(22-15-5-3-13(4-6-15)16-10-27-12-21-16)14-2-1-7-23(9-14)19(25)17-8-20-11-26-17/h3-6,8,10-12,14H,1-2,7,9H2,(H,22,24)
InChIKey:
BHTDDYJQIXFKSK-UHFFFAOYSA-N

Cite this record

CBID:460023 http://www.chembase.cn/molecule-460023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1,3-oxazole-5-carbonyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
IUPAC Traditional name
1-(1,3-oxazole-5-carbonyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
Synonyms
1-(1,3-oxazol-5-ylcarbonyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 32271126 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 13.646641  H Acceptors
H Donor LogD (pH = 5.5) 1.4882511 
LogD (pH = 7.4) 1.4883181  Log P 1.4883193 
Molar Refractivity 101.9945 cm3 Polarizability 39.00967 Å3
Polar Surface Area 88.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.96  LOG S -2.81 
Polar Surface Area 88.33 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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