3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C11H11F3N2O — CID 91345304

IUPAC3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cncc(C)c2)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O/c1-7-3-9(6-15-5-7)10(11(12,13)14)4-8(2)16-17-10/h3,5-6H,4H2,1-2H3
InChIKeyZZUYOEOCMFDIBR-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.94
Rot. Bonds1

About 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole

3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 91345304) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID91345304
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cncc(C)c2)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O/c1-7-3-9(6-15-5-7)10(11(12,13)14)4-8(2)16-17-10/h3,5-6H,4H2,1-2H3
InChIKeyZZUYOEOCMFDIBR-UHFFFAOYSA-N
XLogP2.94
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole-3-carbaldehyde
CID 162587067
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 173086518
(5S)-3-(3-methylphenyl)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141356805
5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
CID 161326009
ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754
5-(3,5-dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 58223544
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
3-methyl-3-(5-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538519
3-(5-methyl-3-pyridinyl)oxan-3-amine
CID 115373854
4-(5-methyl-3-pyridinyl)-1-propylpiperidin-4-ol
CID 113296961
5-(3,5-dichlorophenyl)-3-(3-methyl-4-methylsulfinylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 89216805
CID 174996178
CID 174996178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 91345304) is 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole is CC1=NOC(c2cncc(C)c2)(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is ZZUYOEOCMFDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-3-9(6-15-5-7)10(11(12,13)14)4-8(2)16-17-10/h3,5-6H,4H2,1-2H3.
What are the key properties of 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 244.22 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 91345304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).