1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate

C106H82ClF9N12O14 — CID 158600381

IUPAC1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate
SMILESCCC(=O)c1ccccc1-c1cnc(Nc2c(F)cccc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccccc2F)o1.COC(=O)c1ccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/2C18H14F2N2O2.2C18H15FN2O2.C17H13ClN2O3.C17H11F3N2O3/c1-2-15(23)11-6-3-4-7-12(11)16-10-21-18(24-16)22-17-13(19)8-5-9-14(17)20;1-2-16(23)12-5-3-4-6-13(12)17-10-21-18(24-17)22-15-8-7-11(19)9-14(15)20;1-2-16(22)12-7-3-4-8-13(12)17-11-20-18(23-17)21-15-10-6-5-9-14(15)19;1-2-16(22)14-5-3-4-6-15(14)17-11-20-18(23-17)21-13-9-7-12(19)8-10-13;1-22-16(21)12-4-2-3-11(9-12)15-10-19-17(23-15)20-14-7-5-13(18)6-8-14;1-24-16(23)10-4-2-9(3-5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20/h2*3-10H,2H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,20,21);2-10H,1H3,(H,19,20);2-8H,1H3,(H,21,22)
InChIKeyHVODXFCEHPBGCB-UHFFFAOYSA-N
MW1954.33 g/mol
LogP28.36
Rot. Bonds28

About 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate

1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate (PubChem CID 158600381) has the molecular formula C106H82ClF9N12O14 and a molecular weight of 1954.33 g/mol. Its IUPAC name is 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate.

Molecular Properties

Compound Name1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate
PubChem CID158600381
Molecular FormulaC106H82ClF9N12O14
Molecular Weight1954.33 g/mol
Exact Mass1952.56
IUPAC Name1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate
SMILESCCC(=O)c1ccccc1-c1cnc(Nc2c(F)cccc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccccc2F)o1.COC(=O)c1ccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3ccc(Cl)cc3)o2)c1
InChIInChI=1S/2C18H14F2N2O2.2C18H15FN2O2.C17H13ClN2O3.C17H11F3N2O3/c1-2-15(23)11-6-3-4-7-12(11)16-10-21-18(24-16)22-17-13(19)8-5-9-14(17)20;1-2-16(23)12-5-3-4-6-13(12)17-10-21-18(24-17)22-15-8-7-11(19)9-14(15)20;1-2-16(22)12-7-3-4-8-13(12)17-11-20-18(23-17)21-15-10-6-5-9-14(15)19;1-2-16(22)14-5-3-4-6-15(14)17-11-20-18(23-17)21-13-9-7-12(19)8-10-13;1-22-16(21)12-4-2-3-11(9-12)15-10-19-17(23-15)20-14-7-5-13(18)6-8-14;1-24-16(23)10-4-2-9(3-5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20/h2*3-10H,2H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,20,21);2-10H,1H3,(H,19,20);2-8H,1H3,(H,21,22)
InChIKeyHVODXFCEHPBGCB-UHFFFAOYSA-N
XLogP28.36
TPSA349.24 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001954.33
LogP ≤ 528.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?
The IUPAC name of 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate (CID 158600381) is 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate.
What is the SMILES notation for 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?
The canonical SMILES for 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate is CCC(=O)c1ccccc1-c1cnc(Nc2c(F)cccc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccc(F)cc2F)o1.CCC(=O)c1ccccc1-c1cnc(Nc2ccccc2F)o1.COC(=O)c1ccc(-c2cnc(Nc3c(F)cc(F)cc3F)o2)cc1.COC(=O)c1cccc(-c2cnc(Nc3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?
The InChIKey is HVODXFCEHPBGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14F2N2O2.2C18H15FN2O2.C17H13ClN2O3.C17H11F3N2O3/c1-2-15(23)11-6-3-4-7-12(11)16-10-21-18(24-16)22-17-13(19)8-5-9-14(17)20;1-2-16(23)12-5-3-4-6-13(12)17-10-21-18(24-17)22-15-8-7-11(19)9-14(15)20;1-2-16(22)12-7-3-4-8-13(12)17-11-20-18(23-17)21-15-10-6-5-9-14(15)19;1-2-16(22)14-5-3-4-6-15(14)17-11-20-18(23-17)21-13-9-7-12(19)8-10-13;1-22-16(21)12-4-2-3-11(9-12)15-10-19-17(23-15)20-14-7-5-13(18)6-8-14;1-24-16(23)10-4-2-9(3-5-10)14-8-21-17(25-14)22-15-12(19)6-11(18)7-13(15)20/h2*3-10H,2H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,20,21);2-10H,1H3,(H,19,20);2-8H,1H3,(H,21,22).
What are the key properties of 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate?
1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate has a molecular weight of 1954.33 g/mol, XLogP of 28.36, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;1-[2-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]propan-1-one;methyl 3-[2-(4-chloroanilino)-1,3-oxazol-5-yl]benzoate;methyl 4-[2-(2,4,6-trifluoroanilino)-1,3-oxazol-5-yl]benzoate is sourced from PubChem (CID 158600381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).