Chemical ID: 6283128

Cc1ccccc1C(=O)Nc2nnc(o2)c3ccccc3
Chemical ID:
6283128
Name [?]:
2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nnc(o2)c3ccccc3
InChi [?]:
InChI=1/C16H13N3O2/c1-11-7-5-6-10-13(11)14(20)17-16-19-18-15(21-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,4,5,3,17,21,6,2,16,7,8,14,11,10,13,12,9,15/E:(3,4)(8,9)/rA:21nCCCCCCCCONCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.66812
Area:474.285
Solvation:-2.189
Coulombic:-39.0351
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.293
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.79
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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