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Chemical ID: 5996810
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
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Experimental Annotations
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Descriptor Annotations
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