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

C16H17F3N2O2 — CID 23654893

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C16H17F3N2O2/c1-9-12(5-4-6-14(9)16(17,18)19)8-20-15(22)7-13-10(2)21-23-11(13)3/h4-6H,7-8H2,1-3H3,(H,20,22)
InChIKeySIIIEYSMZWLPIX-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.48
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 23654893) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID23654893
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C16H17F3N2O2/c1-9-12(5-4-6-14(9)16(17,18)19)8-20-15(22)7-13-10(2)21-23-11(13)3/h4-6H,7-8H2,1-3H3,(H,20,22)
InChIKeySIIIEYSMZWLPIX-UHFFFAOYSA-N
XLogP3.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.48
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-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide (CID 23654893) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is SIIIEYSMZWLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-9-12(5-4-6-14(9)16(17,18)19)8-20-15(22)7-13-10(2)21-23-11(13)3/h4-6H,7-8H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 326.32 g/mol, XLogP of 3.48, 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-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 23654893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).