Chemical ID: 6245643

CCCCC(=O)Nc1nnc(o1)C2=COCCO2
Chemical ID:
6245643
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1nnc(o1)C2=COCCO2
InChi [?]:
InChI=1/C11H15N3O4/c1-2-3-4-9(15)12-11-14-13-10(18-11)8-7-16-5-6-17-8/h7H,2-6H2,1H3,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,16,17,14,13,5,11,8,7,10,9,6,15,18,12/rA:18nCCCCCONCNNCOCCOCCO/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;d13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N3O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.15313
Area:452.862
Solvation:-4.16841
Coulombic:-50.5697
Bond Count [?]
All:19
Single:15
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:253.255
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):-0.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue