(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate

C16H7Cl3FNO3 — CID 154659716

IUPAC(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate
SMILESO=C(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(-c2cnco2)c1F
InChIInChI=1S/C16H7Cl3FNO3/c17-8-4-11(18)15(12(19)5-8)24-16(22)10-3-1-2-9(14(10)20)13-6-21-7-23-13/h1-7H
InChIKeyHFJJINDTHPLCDA-UHFFFAOYSA-N
MW386.59 g/mol
LogP5.66
Rot. Bonds3

About (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate

(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate (PubChem CID 154659716) has the molecular formula C16H7Cl3FNO3 and a molecular weight of 386.59 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate
PubChem CID154659716
Molecular FormulaC16H7Cl3FNO3
Molecular Weight386.59 g/mol
Exact Mass384.95
IUPAC Name(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate
SMILESO=C(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(-c2cnco2)c1F
InChIInChI=1S/C16H7Cl3FNO3/c17-8-4-11(18)15(12(19)5-8)24-16(22)10-3-1-2-9(14(10)20)13-6-21-7-23-13/h1-7H
InChIKeyHFJJINDTHPLCDA-UHFFFAOYSA-N
XLogP5.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate (CID 154659716) is (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate is O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(-c2cnco2)c1F.
What is the InChIKey of (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate?
The InChIKey is HFJJINDTHPLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl3FNO3/c17-8-4-11(18)15(12(19)5-8)24-16(22)10-3-1-2-9(14(10)20)13-6-21-7-23-13/h1-7H.
What are the key properties of (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate?
(2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate has a molecular weight of 386.59 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) 2-fluoro-3-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 154659716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).