1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone

C27H18F2N2O2S — CID 152950354

IUPAC1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone
SMILESCc1ccc(-c2nc(-c3cnco3)cs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C27H18F2N2O2S/c1-16-5-8-19(27-31-23(14-34-27)25-13-30-15-33-25)12-20(16)18-9-6-17(7-10-18)11-24(32)26-21(28)3-2-4-22(26)29/h2-10,12-15H,11H2,1H3
InChIKeyUOOUCOUVVAEARB-UHFFFAOYSA-N
MW472.52 g/mol
LogP7.14
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone

1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone (PubChem CID 152950354) has the molecular formula C27H18F2N2O2S and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone
PubChem CID152950354
Molecular FormulaC27H18F2N2O2S
Molecular Weight472.52 g/mol
Exact Mass472.11
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone
SMILESCc1ccc(-c2nc(-c3cnco3)cs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C27H18F2N2O2S/c1-16-5-8-19(27-31-23(14-34-27)25-13-30-15-33-25)12-20(16)18-9-6-17(7-10-18)11-24(32)26-21(28)3-2-4-22(26)29/h2-10,12-15H,11H2,1H3
InChIKeyUOOUCOUVVAEARB-UHFFFAOYSA-N
XLogP7.14
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone 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-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone (CID 152950354) is 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone is Cc1ccc(-c2nc(-c3cnco3)cs2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone?
The InChIKey is UOOUCOUVVAEARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N2O2S/c1-16-5-8-19(27-31-23(14-34-27)25-13-30-15-33-25)12-20(16)18-9-6-17(7-10-18)11-24(32)26-21(28)3-2-4-22(26)29/h2-10,12-15H,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone has a molecular weight of 472.52 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[4-(1,3-oxazol-5-yl)-1,3-thiazol-2-yl]phenyl]phenyl]ethanone is sourced from PubChem (CID 152950354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).