N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

C15H15F3N2O3S — CID 25304801

IUPACN-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESCSCCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O3S/c1-24-6-5-19-14(21)12-8-23-13(20-12)9-22-11-4-2-3-10(7-11)15(16,17)18/h2-4,7-8H,5-6,9H2,1H3,(H,19,21)
InChIKeyCSJACZJLMOZUAE-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.37
Rot. Bonds7

About N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide

N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 25304801) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
PubChem CID25304801
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
SMILESCSCCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O3S/c1-24-6-5-19-14(21)12-8-23-13(20-12)9-22-11-4-2-3-10(7-11)15(16,17)18/h2-4,7-8H,5-6,9H2,1H3,(H,19,21)
InChIKeyCSJACZJLMOZUAE-UHFFFAOYSA-N
XLogP3.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide (CID 25304801) is N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is CSCCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CSJACZJLMOZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-24-6-5-19-14(21)12-8-23-13(20-12)9-22-11-4-2-3-10(7-11)15(16,17)18/h2-4,7-8H,5-6,9H2,1H3,(H,19,21).
What are the key properties of N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide?
N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25304801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).