N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C16H17F3N2O3 — CID 46097083

IUPACN-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)noc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3/c1-3-23-8-7-20-15(22)13-10(2)21-24-14(13)11-5-4-6-12(9-11)16(17,18)19/h4-6,9H,3,7-8H2,1-2H3,(H,20,22)
InChIKeyIGSNMJQJUVAGKF-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.44
Rot. Bonds6

About N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097083) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46097083
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)noc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3/c1-3-23-8-7-20-15(22)13-10(2)21-24-14(13)11-5-4-6-12(9-11)16(17,18)19/h4-6,9H,3,7-8H2,1-2H3,(H,20,22)
InChIKeyIGSNMJQJUVAGKF-UHFFFAOYSA-N
XLogP3.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 46097083) is N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is CCOCCNC(=O)c1c(C)noc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is IGSNMJQJUVAGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-3-23-8-7-20-15(22)13-10(2)21-24-14(13)11-5-4-6-12(9-11)16(17,18)19/h4-6,9H,3,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).