Chemical ID: 4806613

CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccc(cc3)F
Chemical ID:
4806613
Name [?]:
N-(4-fluorophenyl)-3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C21H22FN3O2/c1-21(2,3)15-6-4-14(5-7-15)20-24-19(27-25-20)13-12-18(26)23-17-10-8-16(22)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,23,25,22,26,17,16,8,5,24,21,18,13,11,2,27,20,12,15,19,14/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCCCCCNCONCCCONCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d11s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.612
Area:603.076
Solvation:-3.46489
Coulombic:-36.4657
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.09
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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