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1031606-14-0 | 4-({4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline
CAS No: 1031606-14-0 Catalog No: AG00J0L4 MDL No:MFCD14728255
Product Description
Catalog Number:
AG00J0L4
Chemical Name:
4-({4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)aniline
CAS Number:
1031606-14-0
Molecular Formula:
C20H19N5O3
Molecular Weight:
377.3966
MDL Number:
MFCD14728255
IUPAC Name:
4-[[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline
InChI:
InChI=1S/C20H19N5O3/c1-26-17-8-5-14(9-18(17)27-2)19-23-20(28-24-19)16-11-25(12-22-16)10-13-3-6-15(21)7-4-13/h3-9,11-12H,10,21H2,1-2H3
InChI Key:
TYIDFHXFIUTKQA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1noc(n1)c1ncn(c1)Cc1ccc(cc1)N
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.404g/mol
Monoisotopic Mass:
377.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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