1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone

C102H77F7N12O12 — CID 158393363

IUPAC1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3F)o2)c1
InChIInChI=1S/2C17H12F2N2O2.3C17H13FN2O2.C17H14N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19;1-10(22)11-3-2-4-12(7-11)16-9-20-17(23-16)21-15-6-5-13(18)8-14(15)19;1-11(21)12-4-2-5-13(8-12)16-10-19-17(22-16)20-15-7-3-6-14(18)9-15;1-11(21)12-5-4-6-13(9-12)16-10-19-17(22-16)20-15-8-3-2-7-14(15)18;1-11(21)12-3-2-4-13(9-12)16-10-19-17(22-16)20-15-7-5-14(18)6-8-15;1-12(20)13-6-5-7-14(10-13)16-11-18-17(21-16)19-15-8-3-2-4-9-15/h2*2-9H,1H3,(H,20,21);3*2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19)
InChIKeyGXFXMVOZZRNXJF-UHFFFAOYSA-N
MW1795.80 g/mol
LogP26.70
Rot. Bonds24

About 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone

1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 158393363) has the molecular formula C102H77F7N12O12 and a molecular weight of 1795.80 g/mol. Its IUPAC name is 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
PubChem CID158393363
Molecular FormulaC102H77F7N12O12
Molecular Weight1795.80 g/mol
Exact Mass1794.57
IUPAC Name1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3F)o2)c1
InChIInChI=1S/2C17H12F2N2O2.3C17H13FN2O2.C17H14N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19;1-10(22)11-3-2-4-12(7-11)16-9-20-17(23-16)21-15-6-5-13(18)8-14(15)19;1-11(21)12-4-2-5-13(8-12)16-10-19-17(22-16)20-15-7-3-6-14(18)9-15;1-11(21)12-5-4-6-13(9-12)16-10-19-17(22-16)20-15-8-3-2-7-14(15)18;1-11(21)12-3-2-4-13(9-12)16-10-19-17(22-16)20-15-7-5-14(18)6-8-15;1-12(20)13-6-5-7-14(10-13)16-11-18-17(21-16)19-15-8-3-2-4-9-15/h2*2-9H,1H3,(H,20,21);3*2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19)
InChIKeyGXFXMVOZZRNXJF-UHFFFAOYSA-N
XLogP26.70
TPSA330.78 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001795.80
LogP ≤ 526.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone (CID 158393363) is 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cnc(Nc3c(F)cccc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3)o2)c1.CC(=O)c1cccc(-c2cnc(Nc3ccccc3F)o2)c1.
What is the InChIKey of 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
The InChIKey is GXFXMVOZZRNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12F2N2O2.3C17H13FN2O2.C17H14N2O2/c1-10(22)11-4-2-5-12(8-11)15-9-20-17(23-15)21-16-13(18)6-3-7-14(16)19;1-10(22)11-3-2-4-12(7-11)16-9-20-17(23-16)21-15-6-5-13(18)8-14(15)19;1-11(21)12-4-2-5-13(8-12)16-10-19-17(22-16)20-15-7-3-6-14(18)9-15;1-11(21)12-5-4-6-13(9-12)16-10-19-17(22-16)20-15-8-3-2-7-14(15)18;1-11(21)12-3-2-4-13(9-12)16-10-19-17(22-16)20-15-7-5-14(18)6-8-15;1-12(20)13-6-5-7-14(10-13)16-11-18-17(21-16)19-15-8-3-2-4-9-15/h2*2-9H,1H3,(H,20,21);3*2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19).
What are the key properties of 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone?
1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone has a molecular weight of 1795.80 g/mol, XLogP of 26.70, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-anilino-1,3-oxazol-5-yl)phenyl]ethanone;1-[3-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone;1-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 158393363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).