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Chemical ID: 6282702
Chemical ID:
6282702
Name [?]:
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H23N3O4/c1-3-4-5-14-27-18-12-6-15(7-13-18)19(25)22-21-24-23-20(28-21)16-8-10-17(26-2)11-9-16/h6-13H,3-5,14H2,1-2H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,3,4,9,11,22,26,23,25,8,12,5,10,21,24,7,13,19,16,15,18,17,14,27,6,20/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCOCCCCCCCONCNNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2456 |
Area: | 645.671 |
Solvation: | -4.89616 |
Coulombic: | -52.4389 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 381.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.1 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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