Chemical ID: 5618986

CCN1CCN(CC1)c2nc3ccccc3o2
Chemical ID:
5618986
Name [?]:
2-(4-ethylpiperazin-1-yl)benzooxazole
SMILES [?]:
CCN1CCN(CC1)c2nc3ccccc3o2
InChi [?]:
InChI=1/C13H17N3O/c1-2-15-7-9-16(10-8-15)13-14-11-5-3-4-6-12(11)17-13/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,4,8,5,7,11,16,9,10,3,6,17/E:(7,8)(9,10)/rA:17nCCNCCNCCCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.21191
Area:408.108
Solvation:-1.99079
Coulombic:-28.2542
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.294
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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