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

C18H20F3N3O3 — CID 24686884

IUPACN,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O3/c1-4-13-16(11(3)27-23-13)17(26)24(5-2)10-15(25)22-14-9-7-6-8-12(14)18(19,20)21/h6-9H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyBHAAOSUZNZCLKN-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.67
Rot. Bonds6

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

N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 24686884) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID24686884
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O3/c1-4-13-16(11(3)27-23-13)17(26)24(5-2)10-15(25)22-14-9-7-6-8-12(14)18(19,20)21/h6-9H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyBHAAOSUZNZCLKN-UHFFFAOYSA-N
XLogP3.67
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide (CID 24686884) is N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is BHAAOSUZNZCLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-4-13-16(11(3)27-23-13)17(26)24(5-2)10-15(25)22-14-9-7-6-8-12(14)18(19,20)21/h6-9H,4-5,10H2,1-3H3,(H,22,25).
What are the key properties of N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide?
N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24686884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).