2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C13H13F2N3O2 — CID 47395738

IUPAC2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1
InChIInChI=1S/C13H13F2N3O2/c1-8-6-12(20-17-8)16-11(19)7-18(2)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyJXVIAFGBVCWQTO-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.34
Rot. Bonds4

About 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 47395738) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID47395738
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1
InChIInChI=1S/C13H13F2N3O2/c1-8-6-12(20-17-8)16-11(19)7-18(2)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyJXVIAFGBVCWQTO-UHFFFAOYSA-N
XLogP2.34
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 47395738) is 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1.
What is the InChIKey of 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is JXVIAFGBVCWQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-6-12(20-17-8)16-11(19)7-18(2)13-9(14)4-3-5-10(13)15/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 281.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-N-methylanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 47395738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).