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

C5H6F3NO — CID 20691962

IUPAC5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(9-10-3)5(6,7)8/h3H,2H2,1H3
InChIKeyMDQMOHGPNBTZSA-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.71
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 20691962) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID20691962
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(9-10-3)5(6,7)8/h3H,2H2,1H3
InChIKeyMDQMOHGPNBTZSA-UHFFFAOYSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 20691962) is 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CC1CC(C(F)(F)F)=NO1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is MDQMOHGPNBTZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3-2-4(9-10-3)5(6,7)8/h3H,2H2,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 153.10 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 20691962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).