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

C5H4F3NO — CID 45099016

IUPAC4-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1conc1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3-2-10-9-4(3)5(6,7)8/h2H,1H3
InChIKeyGGWLHUDJYTUTBR-UHFFFAOYSA-N
MW151.09 g/mol
LogP2.00
Rot. Bonds

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

4-methyl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 45099016) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 4-methyl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID45099016
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name4-methyl-3-(trifluoromethyl)-1,2-oxazole
SMILESCc1conc1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3-2-10-9-4(3)5(6,7)8/h2H,1H3
InChIKeyGGWLHUDJYTUTBR-UHFFFAOYSA-N
XLogP2.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 4-methyl-3-(trifluoromethyl)-1,2-oxazole (CID 45099016) is 4-methyl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-methyl-3-(trifluoromethyl)-1,2-oxazole is Cc1conc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is GGWLHUDJYTUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c1-3-2-10-9-4(3)5(6,7)8/h2H,1H3.
What are the key properties of 4-methyl-3-(trifluoromethyl)-1,2-oxazole?
4-methyl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 151.09 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 45099016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).