Chemical ID: 6245642

CC(C)C(=O)Nc1nnc(o1)C2=COCCO2
Chemical ID:
6245642
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1nnc(o1)C2=COCCO2
InChi [?]:
InChI=1/C10H13N3O4/c1-6(2)8(14)11-10-13-12-9(17-10)7-5-15-3-4-16-7/h5-6H,3-4H2,1-2H3,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,13,2,12,4,10,7,6,9,8,5,14,17,11/E:(1,2)/rA:17nCCCCONCNNCOCCOCCO/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;d12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.36188
Area:417.809
Solvation:-4.08335
Coulombic:-50.572
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:239.228
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.77
LogP (Chemaxon):-0.6

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