[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H15F3N2O4 — CID 7581581

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O4/c1-12-17(18(25-29-12)13-6-3-2-4-7-13)19(27)28-11-16(26)24-15-9-5-8-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,26)
InChIKeyCUCAYFPKVLGOCR-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.46
Rot. Bonds5

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 7581581) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID7581581
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O4/c1-12-17(18(25-29-12)13-6-3-2-4-7-13)19(27)28-11-16(26)24-15-9-5-8-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,26)
InChIKeyCUCAYFPKVLGOCR-UHFFFAOYSA-N
XLogP4.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4828943
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581407
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581443
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581681
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563095
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235317
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7715359
[2-(benzhydrylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614483
[2-(3-fluorophenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8676290
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4802550

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 7581581) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is CUCAYFPKVLGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-12-17(18(25-29-12)13-6-3-2-4-7-13)19(27)28-11-16(26)24-15-9-5-8-14(10-15)20(21,22)23/h2-10H,11H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 404.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7581581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).