Chemical ID: 4786609

Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
Chemical ID:
4786609
Name [?]:
3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-phenyl-1,2,4-oxadiazole
SMILES [?]:
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
InChi [?]:
InChI=1/C15H16N4O/c1-11-10-12(2)19(17-11)9-8-14-16-15(20-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,17,16,18,15,19,8,7,3,2,4,14,9,11,10,6,13,5,12/E:(4,5)(6,7)/rA:20nCCCCNNCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;d10;s11;d9s12;s11;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.77911
Area:485.368
Solvation:-2.3551
Coulombic:-16.0501
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.314
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.99
LogP (Chemaxon):3.35

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Descriptor Annotations

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