1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

C92H66BrCl6F6N5O11 — CID 164979501

IUPAC1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(-c3cnco3)c(Cl)c2)c1.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1cc(F)ccc1Cl.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccc(F)cc1F.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(Br)c1)Cc1ccc(-c2cnco2)c(Cl)c1
InChIInChI=1S/C19H13ClF3NO2.C19H16ClNO3.C18H13BrClNO2.C18H12Cl2FNO2.C18H12ClF2NO2/c20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23;1-23-16-4-2-3-13(9-16)7-15(22)8-14-5-6-17(18(20)10-14)19-11-21-12-24-19;19-14-3-1-2-12(6-14)7-15(22)8-13-4-5-16(17(20)9-13)18-10-21-11-23-18;19-16-4-2-13(21)7-12(16)8-14(23)5-11-1-3-15(17(20)6-11)18-9-22-10-24-18;19-16-6-11(1-4-15(16)18-9-22-10-24-18)5-14(23)7-12-2-3-13(20)8-17(12)21/h1-6,8,10-11H,7,9H2;2-6,9-12H,7-8H2,1H3;1-6,9-11H,7-8H2;1-4,6-7,9-10H,5,8H2;1-4,6,8-10H,5,7H2
InChIKeyFGTATGHFYZXFNN-UHFFFAOYSA-N
MW1824.17 g/mol
LogP24.61
Rot. Bonds26

About 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 164979501) has the molecular formula C92H66BrCl6F6N5O11 and a molecular weight of 1824.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID164979501
Molecular FormulaC92H66BrCl6F6N5O11
Molecular Weight1824.17 g/mol
Exact Mass1819.20
IUPAC Name1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cccc(CC(=O)Cc2ccc(-c3cnco3)c(Cl)c2)c1.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1cc(F)ccc1Cl.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccc(F)cc1F.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(Br)c1)Cc1ccc(-c2cnco2)c(Cl)c1
InChIInChI=1S/C19H13ClF3NO2.C19H16ClNO3.C18H13BrClNO2.C18H12Cl2FNO2.C18H12ClF2NO2/c20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23;1-23-16-4-2-3-13(9-16)7-15(22)8-14-5-6-17(18(20)10-14)19-11-21-12-24-19;19-14-3-1-2-12(6-14)7-15(22)8-13-4-5-16(17(20)9-13)18-10-21-11-23-18;19-16-4-2-13(21)7-12(16)8-14(23)5-11-1-3-15(17(20)6-11)18-9-22-10-24-18;19-16-6-11(1-4-15(16)18-9-22-10-24-18)5-14(23)7-12-2-3-13(20)8-17(12)21/h1-6,8,10-11H,7,9H2;2-6,9-12H,7-8H2,1H3;1-6,9-11H,7-8H2;1-4,6-7,9-10H,5,8H2;1-4,6,8-10H,5,7H2
InChIKeyFGTATGHFYZXFNN-UHFFFAOYSA-N
XLogP24.61
TPSA224.73 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001824.17
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[3-(difluoromethoxy)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)propan-2-one;1-[2-(difluoromethoxy)phenyl]-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one
CID 165041246
bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one
CID 161214006
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
2-[3-(difluoromethoxy)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide;N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 90177419
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409854
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (CID 164979501) is 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is COc1cccc(CC(=O)Cc2ccc(-c3cnco3)c(Cl)c2)c1.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1cc(F)ccc1Cl.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccc(F)cc1F.O=C(Cc1ccc(-c2cnco2)c(Cl)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(Br)c1)Cc1ccc(-c2cnco2)c(Cl)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is FGTATGHFYZXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO2.C19H16ClNO3.C18H13BrClNO2.C18H12Cl2FNO2.C18H12ClF2NO2/c20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23;1-23-16-4-2-3-13(9-16)7-15(22)8-14-5-6-17(18(20)10-14)19-11-21-12-24-19;19-14-3-1-2-12(6-14)7-15(22)8-13-4-5-16(17(20)9-13)18-10-21-11-23-18;19-16-4-2-13(21)7-12(16)8-14(23)5-11-1-3-15(17(20)6-11)18-9-22-10-24-18;19-16-6-11(1-4-15(16)18-9-22-10-24-18)5-14(23)7-12-2-3-13(20)8-17(12)21/h1-6,8,10-11H,7,9H2;2-6,9-12H,7-8H2,1H3;1-6,9-11H,7-8H2;1-4,6-7,9-10H,5,8H2;1-4,6,8-10H,5,7H2.
What are the key properties of 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1824.17 g/mol, XLogP of 24.61, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 164979501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).