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Chemical ID: 4974959
Chemical ID:
4974959
Name [?]:
5-phenyl-2-[4-(2-phenyloxazol-5-yl)phenyl]-oxazole
SMILES [?]:
c1ccc(cc1)c2cnc(o2)c3ccc(cc3)c4cnc(o4)c5ccccc5
InChi [?]:
InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-26-24(27-21)20-13-11-18(12-14-20)22-16-25-23(28-22)19-9-5-2-6-10-19/h1-16H
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,3,5,24,28,14,16,13,17,8,19,4,15,23,12,7,18,21,10,20,9,11,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s15;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3694 |
Area: | 607.068 |
Solvation: | -2.80734 |
Coulombic: | -32.4282 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.49 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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