Chemical ID: 4779941

Cc1ccc(cc1)c2nnco2
Chemical ID:
4779941
Name [?]:
2-(p-tolyl)-1,3,4-oxadiazole
SMILES [?]:
Cc1ccc(cc1)c2nnco2
InChi [?]:
InChI=1/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,2,5,8,10,9,12/E:(2,3)(4,5)/rA:12nCCCCCCCCNNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.65826
Area:322.707
Solvation:-1.4094
Coulombic:-14.199
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.33
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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