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896659-80-6 | 3-Chloro-N-methyl-N-((3-(p-tolyl);-1,2,4-oxadiazol-5-yl);methyl);benzamide
CAS No: 896659-80-6 Catalog No: AG0043I4 MDL No:MFCD08070010
Product Description
Catalog Number:
AG0043I4
Chemical Name:
3-Chloro-N-methyl-N-((3-(p-tolyl);-1,2,4-oxadiazol-5-yl);methyl);benzamide
CAS Number:
896659-80-6
Molecular Formula:
C18H16ClN3O2
Molecular Weight:
341.7915
MDL Number:
MFCD08070010
IUPAC Name:
3-chloro-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
InChI:
InChI=1S/C18H16ClN3O2/c1-12-6-8-13(9-7-12)17-20-16(24-21-17)11-22(2)18(23)14-4-3-5-15(19)10-14/h3-10H,11H2,1-2H3
InChI Key:
LWHLNSCKTMIVID-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)CN(C(=O)c1cccc(c1)Cl)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.795g/mol
Monoisotopic Mass:
341.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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