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

C22H17F2N3O2S — CID 24668994

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H17F2N3O2S/c23-16-7-4-8-17(24)21(16)18-12-26-20(29-18)10-9-19(28)25-11-15-13-30-22(27-15)14-5-2-1-3-6-14/h1-8,12-13H,9-11H2,(H,25,28)
InChIKeyTWZZGLYPGDESSD-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.99
Rot. Bonds7

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

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 24668994) has the molecular formula C22H17F2N3O2S and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID24668994
Molecular FormulaC22H17F2N3O2S
Molecular Weight425.46 g/mol
Exact Mass425.10
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C22H17F2N3O2S/c23-16-7-4-8-17(24)21(16)18-12-26-20(29-18)10-9-19(28)25-11-15-13-30-22(27-15)14-5-2-1-3-6-14/h1-8,12-13H,9-11H2,(H,25,28)
InChIKeyTWZZGLYPGDESSD-UHFFFAOYSA-N
XLogP4.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide 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 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 24668994) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is TWZZGLYPGDESSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2S/c23-16-7-4-8-17(24)21(16)18-12-26-20(29-18)10-9-19(28)25-11-15-13-30-22(27-15)14-5-2-1-3-6-14/h1-8,12-13H,9-11H2,(H,25,28).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 425.46 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24668994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).