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Chemical ID: 5996785
Chemical ID:
5996785
Name [?]:
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCC1c2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C17H21N3O2/c1-2-3-11-15(21)20-12-7-10-14(20)17-18-16(19-22-17)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,20,19,21,9,18,22,10,4,8,17,11,5,14,12,13,15,7,6,16/E:(5,6)(8,9)/rA:22cCCCCCONCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3747 |
Area: | 522.127 |
Solvation: | -2.67853 |
Coulombic: | -29.848 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.368 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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