Chemical ID: 5996810

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc5ccccc5c4
Chemical ID:
5996810
Name [?]:
2-naphthyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C23H19N3O2/c27-23(19-13-12-16-7-4-5-10-18(16)15-19)26-14-6-11-20(26)22-24-21(25-28-22)17-8-2-1-3-9-17/h1-5,7-10,12-13,15,20H,6,11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,14,23,3,5,26,13,21,20,15,28,22,4,27,19,12,7,9,17,8,11,16,18,10/E:(2,3)(8,9)/rA:28cCCCCCCCNCONCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7108
Area:580.293
Solvation:-2.79648
Coulombic:-33.1372
Bond Count [?]
All:32
Single:21
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.416
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.29
LogP (Chemaxon):4.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue