Chemical ID: 5608041

c1cc(ccc1c2nc3cc(ccc3o2)N)c4nc5cc(ccc5o4)N
Chemical ID:
5608041
Name [?]:
2-[4-(5-aminobenzooxazol-2-yl)phenyl]benzooxazol-5-amine
SMILES [?]:
c1cc(ccc1c2nc3cc(ccc3o2)N)c4nc5cc(ccc5o4)N
InChi [?]:
InChI=1/C20H14N4O2/c21-13-5-7-17-15(9-13)23-19(25-17)11-1-2-12(4-3-11)20-24-16-10-14(22)6-8-18(16)26-20/h1-10H,21-22H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,12,22,13,23,10,20,6,3,11,21,9,19,14,24,7,17,16,26,8,18,15,25/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCCNCCCCCCONCNCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s3;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3198
Area:554.029
Solvation:-2.53091
Coulombic:-63.034
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.351
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):4.42

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Descriptor Annotations

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