Chemical ID: 5988447

CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl
Chemical ID:
5988447
Name [?]:
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,3-dimethyl-butan-1-one
SMILES [?]:
CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-19(2,3)11-16(24)23-10-4-5-14(12-23)18-21-17(22-25-18)13-6-8-15(20)9-7-13/h6-9,14H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,11,20,24,21,23,9,5,13,19,12,22,6,16,14,2,25,15,17,8,7,18/E:(1,2,3)(6,7)(8,9)/rA:25cCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.2045
Area:583.001
Solvation:-2.37053
Coulombic:-29.6618
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.866
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.79
LogP (Chemaxon):4.2

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Descriptor Annotations

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