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Chemical ID: 6402867
Chemical ID:
6402867
Name [?]:
5-(phenoxymethyl)-3-phenyl-oxazolidin-2-one
SMILES [?]:
c1ccc(cc1)N2CC(OC2=O)COc3ccccc3
InChi [?]:
InChI=1/C16H15NO3/c18-16-17(13-7-3-1-4-8-13)11-15(20-16)12-19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,3,5,16,20,8,13,4,15,9,11,7,12,14,10/E:(3,4)(5,6)(7,8)(9,10)/rA:20cCCCCCCNCCOCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;d11;s9;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.45142 |
Area: | 467.093 |
Solvation: | -4.2259 |
Coulombic: | -37.7092 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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