3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide

C17H18F3N3O3 — CID 24981553

IUPAC3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c1-4-12-15(10(2)26-22-12)16(25)23(3)9-14(24)21-13-8-6-5-7-11(13)17(18,19)20/h5-8H,4,9H2,1-3H3,(H,21,24)
InChIKeyOITGSMIPWRJJDL-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.27
Rot. Bonds5

About 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide

3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 24981553) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID24981553
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O3/c1-4-12-15(10(2)26-22-12)16(25)23(3)9-14(24)21-13-8-6-5-7-11(13)17(18,19)20/h5-8H,4,9H2,1-3H3,(H,21,24)
InChIKeyOITGSMIPWRJJDL-UHFFFAOYSA-N
XLogP3.27
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide (CID 24981553) is 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OITGSMIPWRJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-4-12-15(10(2)26-22-12)16(25)23(3)9-14(24)21-13-8-6-5-7-11(13)17(18,19)20/h5-8H,4,9H2,1-3H3,(H,21,24).
What are the key properties of 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24981553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).