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

C15H15F3N2O2 — CID 110650465

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-9-11(10(2)22-20-9)7-8-14(21)19-13-6-4-3-5-12(13)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeyFJGZKFRZOZEYDH-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.88
Rot. Bonds4

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 110650465) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID110650465
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-9-11(10(2)22-20-9)7-8-14(21)19-13-6-4-3-5-12(13)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeyFJGZKFRZOZEYDH-UHFFFAOYSA-N
XLogP3.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]phenyl]acetic acid
CID 119218412
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24979924
N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736
N-(4-chlorophenyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]benzamide
CID 55467217
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 110650465) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is Cc1noc(C)c1CCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FJGZKFRZOZEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-9-11(10(2)22-20-9)7-8-14(21)19-13-6-4-3-5-12(13)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 312.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 110650465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).