Chemical ID: 6282668

CC(=O)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
Chemical ID:
6282668
Name [?]:
4-acetyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15N3O4/c1-11(22)12-3-5-13(6-4-12)16(23)19-18-21-20-17(25-18)14-7-9-15(24-2)10-8-14/h3-10H,1-2H3,(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,5,9,6,8,19,23,20,22,2,4,7,18,21,10,16,13,12,15,14,3,11,24,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCCONCNNCOCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.14373
Area:562.336
Solvation:-4.91468
Coulombic:-51.347
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):1.92

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Descriptor Annotations

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