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Chemical ID: 4361662
Chemical ID:
4361662
Name [?]:
N-[5-(5-ethylbenzooxazol-2-yl)-2-methyl-phenyl]benzamide
SMILES [?]:
CCc1ccc2c(c1)nc(o2)c3ccc(c(c3)NC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C23H20N2O2/c1-3-16-10-12-21-20(13-16)25-23(27-21)18-11-9-15(2)19(14-18)24-22(26)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,24,23,25,22,26,14,4,13,5,8,17,15,3,21,12,16,7,6,19,10,18,9,20,11/E:(5,6)(7,8)/rA:27nCCCCCCCCNCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1314 |
Area: | 589.343 |
Solvation: | -2.60222 |
Coulombic: | -38.9028 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 5.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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