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Home Carboxys 2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanamido}cyclohex-1-ene-1-carboxylic acid

2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanamido}cyclohex-1-ene-1-carboxylic acid

CAS No.:
917910-45-3
Catalog Number:
AG00GU4E
Molecular Formula:
C19H22N4O5
Molecular Weight:
386.4018
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$473
- +
10mg
99%
1 week
United States
$690
- +
50mg
99%
1 week
United States
$1557
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG00GU4E
Chemical Name:
2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanamido}cyclohex-1-ene-1-carboxylic acid
CAS Number:
917910-45-3
Molecular Formula:
C19H22N4O5
Molecular Weight:
386.4018
MDL Number:
MFCD20528236
IUPAC Name:
2-[[3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid
InChI:
InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
InChI Key:
CJHXBFSJXDUJHP-UHFFFAOYSA-N
SMILES:
Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C
UNII:
PH9ZB6IRW0
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.159g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
386.408g/mol
Monoisotopic Mass:
386.159g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Discovery of a biaryl cyclohexene carboxylic acid (MK-6892): a potent and selective high affinity niacin receptor full agonist with reduced flushing profiles in animals as a preclinical candidate. Journal of medicinal chemistry 20100325
Properties