2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C15H14F4N2O2 — CID 23654642

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H14F4N2O2/c1-8-12(9(2)23-21-8)6-14(22)20-7-10-3-4-11(16)5-13(10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,22)
InChIKeyDKSOLQCOVKHEBO-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.31
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 23654642) has the molecular formula C15H14F4N2O2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID23654642
Molecular FormulaC15H14F4N2O2
Molecular Weight330.28 g/mol
Exact Mass330.10
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H14F4N2O2/c1-8-12(9(2)23-21-8)6-14(22)20-7-10-3-4-11(16)5-13(10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,22)
InChIKeyDKSOLQCOVKHEBO-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 23654642) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is DKSOLQCOVKHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2O2/c1-8-12(9(2)23-21-8)6-14(22)20-7-10-3-4-11(16)5-13(10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 330.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 23654642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).