1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone

C7H6F3NO2 — CID 83389104

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone
SMILESCc1nc(C(=O)C(F)(F)F)oc1C
InChIInChI=1S/C7H6F3NO2/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h1-2H3
InChIKeyBTUBPVVDLJIBFF-UHFFFAOYSA-N
MW193.12 g/mol
LogP2.04
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone

1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone (PubChem CID 83389104) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone
PubChem CID83389104
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone
SMILESCc1nc(C(=O)C(F)(F)F)oc1C
InChIInChI=1S/C7H6F3NO2/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h1-2H3
InChIKeyBTUBPVVDLJIBFF-UHFFFAOYSA-N
XLogP2.04
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone (CID 83389104) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone is Cc1nc(C(=O)C(F)(F)F)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is BTUBPVVDLJIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-3-4(2)13-6(11-3)5(12)7(8,9)10/h1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 193.12 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 83389104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).