2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C15H14F3N3O3 — CID 27813023

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N3O3/c1-7-9(8(2)24-21-7)5-12(22)19-6-13(23)20-11-4-3-10(16)14(17)15(11)18/h3-4H,5-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAAMMYSZLHSIYGH-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.01
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 27813023) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID27813023
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N3O3/c1-7-9(8(2)24-21-7)5-12(22)19-6-13(23)20-11-4-3-10(16)14(17)15(11)18/h3-4H,5-6H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAAMMYSZLHSIYGH-UHFFFAOYSA-N
XLogP2.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120882325
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 51146120
N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 100636866
2-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 109431304
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 27813023) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is Cc1noc(C)c1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is AAMMYSZLHSIYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-7-9(8(2)24-21-7)5-12(22)19-6-13(23)20-11-4-3-10(16)14(17)15(11)18/h3-4H,5-6H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 27813023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).