3404474
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12.5865
12.5865
8.9899
6.0227
7.605
8.1809
7.5118
4.9836
11.6925
5.3903
11.6925
13.4925
13.4925
9.9605
3.989
10.8265
10.8265
9.9605
6.3848
4.8025
6.2038
6.7916
5.2092
9.0944
3.4013
3.5823
6.6105
8.0118
2.4067
2.5878
2
4.9403
5.5851
13.7016
14.1034
14.1034
13.7016
10.8265
10.8265
9.4235
6.7492
4.1859
7.4082
4.8448
3.6534
3.9467
7.9695
2.0423
2.3356
1.3834
2.4466
4.516
1.4868
1.0698
0.3653
2.888
2.1449
-3.3934
2.9813
-2.4798
3.9813
2.9605
4.0021
2.9813
-3.4979
2.4813
4.4813
3.9813
-2.3753
-1.6708
-0.6527
-1.4618
-0.7573
2.4813
-2.6889
-4.4114
0.2608
1.2789
-2.7934
-4.516
-3.707
-4.0119
-3.5434
2.3768
3.0666
3.896
4.5858
1.8613
5.1013
4.2913
-2.8769
-1.7356
-1.397
-0.2557
-2.1225
-4.913
-0.1363
-2.2918
-5.0824
-3.7718
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3
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6
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
591
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B38000000000000000000000000000001600000003460C100000000000091D400001E00180000000C04A19A02311682C00440AA02217230009208022C20001F8821268CD98D26B284BD1B8E392AF4CD330AA987FAFCFCCE6000010000004000C000020000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(phenylmethyl)benzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-(phenylmethyl)benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
GGVBKTNJGODJLB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
413.137556
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C24H19N3O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
413.42536
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
86.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
413.137556
31
0
0
0
0
0
0
0
1
11