COMPOUND: C06499
Help
Entry
C06499 Compound
Name
WIN56291;
5-(3-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methylisoxazole
Formula
C16H16Cl2N2O3
Exact mass
354.0538
Mol weight
355.2158
Structure
Mol file
KCF file
DB search
Other DBs
PubChem:
8730
PDB-CCD:
W91
[
PDBj
]
NIKKAJI:
J523.595B
LinkDB
All DBs
KCF data
Show
ATOM 23
1 C8y C 31.7888 -17.6235
2 C2y C 32.9946 -16.9186
3 C8x C 31.7888 -19.0281
4 C8x C 30.5763 -16.9298
5 N2x N 34.3935 -16.9355
6 O2x O 32.5849 -15.5733
7 C8y C 30.5763 -19.7275
8 C8y C 29.4341 -17.6235
9 C1x C 34.8523 -15.6093
10 C1x C 33.7312 -14.7668
11 C8y C 29.3699 -19.0281
12 X Cl 30.5823 -21.1263
13 X Cl 28.1576 -16.9298
14 O2a O 28.1634 -19.7275
15 C1b C 26.9569 -19.0340
16 C1b C 25.7447 -19.7392
17 C1b C 24.5324 -19.0340
18 C8y C 23.3200 -19.7412
19 O2x O 22.1823 -18.9109
20 C8x C 22.8977 -21.0645
21 N5x N 21.0521 -19.7426
22 C8y C 21.4974 -21.0727
23 C1a C 20.6728 -22.2115
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 8 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 18 20 2
20 19 21 1
21 20 22 1
22 22 23 1
23 8 11 2
24 9 10 1
25 21 22 2
» Japanese version
DBGET
integrated database retrieval system