4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one

C10H5F4NO2 — CID 121234399

IUPAC4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
SMILESO=C1OC(C(F)(F)F)N=C1c1ccc(F)cc1
InChIInChI=1S/C10H5F4NO2/c11-6-3-1-5(2-4-6)7-8(16)17-9(15-7)10(12,13)14/h1-4,9H
InChIKeyMHJVLEVOTZWWHG-UHFFFAOYSA-N
MW247.15 g/mol
LogP2.06
Rot. Bonds1

About 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one

4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one (PubChem CID 121234399) has the molecular formula C10H5F4NO2 and a molecular weight of 247.15 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
PubChem CID121234399
Molecular FormulaC10H5F4NO2
Molecular Weight247.15 g/mol
Exact Mass247.03
IUPAC Name4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
SMILESO=C1OC(C(F)(F)F)N=C1c1ccc(F)cc1
InChIInChI=1S/C10H5F4NO2/c11-6-3-1-5(2-4-6)7-8(16)17-9(15-7)10(12,13)14/h1-4,9H
InChIKeyMHJVLEVOTZWWHG-UHFFFAOYSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one (CID 121234399) is 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one is O=C1OC(C(F)(F)F)N=C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
The InChIKey is MHJVLEVOTZWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO2/c11-6-3-1-5(2-4-6)7-8(16)17-9(15-7)10(12,13)14/h1-4,9H.
What are the key properties of 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one?
4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one has a molecular weight of 247.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one is sourced from PubChem (CID 121234399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).