CAS 1197300-24-5 | 4-IsoxazolecarboxaMide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-diMethyl- | CAS Number 1197300-24-5

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1197300-24-5 | 4-IsoxazolecarboxaMide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-diMethyl-

CAS No: 1197300-24-5 Catalog No: AG000PK2 MDL No:

Product Description

Catalog Number:

AG000PK2

Chemical Name:

4-IsoxazolecarboxaMide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-diMethyl-

CAS Number:

1197300-24-5

Molecular Formula:

C18H14Cl2N2O2

Molecular Weight:

361.2220

IUPAC Name:

3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

InChI:

InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3

InChI Key:

IGRCWJPBLWGNPX-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)N(C(=O)c1c(C)onc1c1ccccc1Cl)C

Properties

Complexity:

443

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.222g/mol

Monoisotopic Mass:

360.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
Dipeptidyl peptidase IV inhibition potentiates amino acid- and bile acid-induced bicarbonate secretion in rat duodenum.	American journal of physiology. Gastrointestinal and liver physiology 20121001
Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists.	Journal of medicinal chemistry 20091224