Chemical ID: 4752128

COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
Chemical ID:
4752128
Name [?]:
4-(4-fluorophenyl)-3-(2-methoxyphenyl)-oxazol-2-one
SMILES [?]:
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H12FNO3/c1-20-15-5-3-2-4-13(15)18-14(10-21-16(18)19)11-6-8-12(17)9-7-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,16,20,17,19,11,15,18,8,10,3,13,21,9,14,2,12/E:(6,7)(8,9)/rA:21nCOCCCCCCNCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s9s12;d13;s10;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12FNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.58209
Area:440.473
Solvation:-4.42973
Coulombic:-39.8876
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.68
LogP (Chemaxon):3.43

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Descriptor Annotations

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