3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C21H18F3N3O3 — CID 17493810

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H18F3N3O3/c1-27(12-19(28)26-15-4-2-3-13(22)9-15)21(29)8-7-20-25-11-18(30-20)16-6-5-14(23)10-17(16)24/h2-6,9-11H,7-8,12H2,1H3,(H,26,28)
InChIKeyJUDZCLHNRAKJMJ-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.79
Rot. Bonds7

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 17493810) has the molecular formula C21H18F3N3O3 and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID17493810
Molecular FormulaC21H18F3N3O3
Molecular Weight417.39 g/mol
Exact Mass417.13
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C21H18F3N3O3/c1-27(12-19(28)26-15-4-2-3-13(22)9-15)21(29)8-7-20-25-11-18(30-20)16-6-5-14(23)10-17(16)24/h2-6,9-11H,7-8,12H2,1H3,(H,26,28)
InChIKeyJUDZCLHNRAKJMJ-UHFFFAOYSA-N
XLogP3.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 17493810) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is JUDZCLHNRAKJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3/c1-27(12-19(28)26-15-4-2-3-13(22)9-15)21(29)8-7-20-25-11-18(30-20)16-6-5-14(23)10-17(16)24/h2-6,9-11H,7-8,12H2,1H3,(H,26,28).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 417.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 17493810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).