Chemical ID: 6245939

c1cc(oc1)c2nnc(o2)NC(=O)C3=COCCO3
Chemical ID:
6245939
Name [?]:
N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-5,6-dihydro-1,4-dioxine-2-carboxamide
SMILES [?]:
c1cc(oc1)c2nnc(o2)NC(=O)C3=COCCO3
InChi [?]:
InChI=1/C11H9N3O5/c15-9(8-6-16-4-5-18-8)12-11-14-13-10(19-11)7-2-1-3-17-7/h1-3,6H,4-5H2,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,18,15,3,14,12,6,9,11,7,8,13,16,4,19,10/rA:19nCCCOCCNNCONCOCCOCCO/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s9;s11;d12;s12;d14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.77104
Area:440.793
Solvation:-4.24878
Coulombic:-60.1932
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.206
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.64
LogP (Chemaxon):-0.28

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