[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate

C18H12F3N3O4 — CID 154838170

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-c2nnco2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)13-4-6-14(7-5-13)23-15(25)9-27-17(26)12-3-1-2-11(8-12)16-24-22-10-28-16/h1-8,10H,9H2,(H,23,25)
InChIKeyQCIPZYJVMOEPLT-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.55
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 154838170) has the molecular formula C18H12F3N3O4 and a molecular weight of 391.31 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate
PubChem CID154838170
Molecular FormulaC18H12F3N3O4
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(COC(=O)c1cccc(-c2nnco2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O4/c19-18(20,21)13-4-6-14(7-5-13)23-15(25)9-27-17(26)12-3-1-2-11(8-12)16-24-22-10-28-16/h1-8,10H,9H2,(H,23,25)
InChIKeyQCIPZYJVMOEPLT-UHFFFAOYSA-N
XLogP3.55
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(methoxymethyl)benzoate
CID 9064741
[2-(4-acetylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504453
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-amino-4-chlorobenzoate
CID 7764978
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
CID 8611982
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526
methyl 3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzoate
CID 177007637
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
CID 2344876
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563095
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] pyridine-4-carboxylate
CID 7889737
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate (CID 154838170) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate is O=C(COC(=O)c1cccc(-c2nnco2)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is QCIPZYJVMOEPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4/c19-18(20,21)13-4-6-14(7-5-13)23-15(25)9-27-17(26)12-3-1-2-11(8-12)16-24-22-10-28-16/h1-8,10H,9H2,(H,23,25).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 391.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 154838170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).