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Chemical ID: 5996883
Chemical ID:
5996883
Name [?]:
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCC1c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C18H23N3O3/c1-3-4-10-16(22)21-11-6-9-15(21)18-19-17(20-24-18)13-7-5-8-14(12-13)23-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,3,19,9,18,20,10,4,8,22,17,21,11,5,14,12,13,15,7,6,23,16/rA:24cCCCCCONCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.90989 |
Area: | 558.228 |
Solvation: | -4.04582 |
Coulombic: | -35.8262 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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