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80987-69-5 | N-METHYL-5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-AMINE
CAS No: 80987-69-5 Catalog No: AG0056MK MDL No:
Product Description
Catalog Number:
AG0056MK
Chemical Name:
N-METHYL-5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-AMINE
CAS Number:
80987-69-5
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
IUPAC Name:
N-methyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C12H15N3O4/c1-13-12-15-14-11(19-12)7-5-8(16-2)10(18-4)9(6-7)17-3/h5-6H,1-4H3,(H,13,15)
InChI Key:
YOKDWSCAAFBGRH-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nnc(o1)NC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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