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

C5H6F3NO — CID 90237576

IUPAC2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole
SMILESCC1OC=CN1C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-4-9(2-3-10-4)5(6,7)8/h2-4H,1H3
InChIKeyLCTUUYWJZMFVTM-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.66
Rot. Bonds

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

2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole (PubChem CID 90237576) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole
PubChem CID90237576
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole
SMILESCC1OC=CN1C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-4-9(2-3-10-4)5(6,7)8/h2-4H,1H3
InChIKeyLCTUUYWJZMFVTM-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole (CID 90237576) is 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole is CC1OC=CN1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The InChIKey is LCTUUYWJZMFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-4-9(2-3-10-4)5(6,7)8/h2-4H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole?
2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole has a molecular weight of 153.10 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole is sourced from PubChem (CID 90237576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).