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

C10H8F6N2O2 — CID 157146761

IUPAC3-methyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1cc(C(F)(F)F)on1.Cc1cc(C(F)(F)F)on1
InChIInChI=1S/2C5H4F3NO/c2*1-3-2-4(10-9-3)5(6,7)8/h2*2H,1H3
InChIKeyAKUHJVBYDKGVJU-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.00
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 157146761) has the molecular formula C10H8F6N2O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,2-oxazole
PubChem CID157146761
Molecular FormulaC10H8F6N2O2
Molecular Weight302.17 g/mol
Exact Mass302.05
IUPAC Name3-methyl-5-(trifluoromethyl)-1,2-oxazole
SMILESCc1cc(C(F)(F)F)on1.Cc1cc(C(F)(F)F)on1
InChIInChI=1S/2C5H4F3NO/c2*1-3-2-4(10-9-3)5(6,7)8/h2*2H,1H3
InChIKeyAKUHJVBYDKGVJU-UHFFFAOYSA-N
XLogP4.00
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-oxazole (CID 157146761) is 3-methyl-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,2-oxazole is Cc1cc(C(F)(F)F)on1.Cc1cc(C(F)(F)F)on1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is AKUHJVBYDKGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4F3NO/c2*1-3-2-4(10-9-3)5(6,7)8/h2*2H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,2-oxazole?
3-methyl-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 302.17 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 157146761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).