Chemical ID: 4508433

CCCc1nc(no1)Cc2ccc(cc2)OC
Chemical ID:
4508433
Name [?]:
3-[(4-methoxyphenyl)methyl]-5-propyl-1,2,4-oxadiazole
SMILES [?]:
CCCc1nc(no1)Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C13H16N2O2/c1-3-4-13-14-12(15-17-13)9-10-5-7-11(16-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,11,15,12,14,9,10,13,6,4,5,7,16,8/E:(5,6)(7,8)/rA:17nCCCCNCNOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.02188
Area:437.491
Solvation:-2.91539
Coulombic:-18.7264
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.94
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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