(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

C12H7F4NO2 — CID 56930142

IUPAC(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESCc1nc(C(F)(F)F)oc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO2/c1-6-10(19-11(17-6)12(14,15)16)9(18)7-2-4-8(13)5-3-7/h2-5H,1H3
InChIKeyIYQLKNODXFMSGJ-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.37
Rot. Bonds2

About (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone

(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 56930142) has the molecular formula C12H7F4NO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID56930142
Molecular FormulaC12H7F4NO2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESCc1nc(C(F)(F)F)oc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H7F4NO2/c1-6-10(19-11(17-6)12(14,15)16)9(18)7-2-4-8(13)5-3-7/h2-5H,1H3
InChIKeyIYQLKNODXFMSGJ-UHFFFAOYSA-N
XLogP3.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (CID 56930142) is (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is Cc1nc(C(F)(F)F)oc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is IYQLKNODXFMSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2/c1-6-10(19-11(17-6)12(14,15)16)9(18)7-2-4-8(13)5-3-7/h2-5H,1H3.
What are the key properties of (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
(4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 273.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 56930142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).