methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate

C13H12FNO3 — CID 164527005

IUPACmethyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate
SMILESCCc1oncc1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C13H12FNO3/c1-3-12-11(7-15-18-12)8-4-9(13(16)17-2)6-10(14)5-8/h4-7H,3H2,1-2H3
InChIKeyHRFAPTADTZRBLT-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.83
Rot. Bonds3

About methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate

methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate (PubChem CID 164527005) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate
PubChem CID164527005
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate
SMILESCCc1oncc1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C13H12FNO3/c1-3-12-11(7-15-18-12)8-4-9(13(16)17-2)6-10(14)5-8/h4-7H,3H2,1-2H3
InChIKeyHRFAPTADTZRBLT-UHFFFAOYSA-N
XLogP2.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526780
methyl 3,5-difluorobenzoate
CID 2775360
methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
CID 103186431
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
methyl 3-(5-ethyl-3-methylimidazol-4-yl)-5-fluorobenzoate
CID 164527687
methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
CID 164526814
methyl 3-(6-chloro-3-pyridinyl)-5-fluorobenzoate
CID 142582222
methyl 3-fluoro-5-(3-methyltriazol-4-yl)benzoate
CID 103186582
ethane;methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
CID 164526813
methyl 3-(3-chloro-6-sulfanylidene-1H-pyridazin-5-yl)-5-fluorobenzoate
CID 106522928
6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53229574
3-(2-ethylfuran-3-yl)-5-fluorobenzoic acid
CID 164526975

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate?
The IUPAC name of methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate (CID 164527005) is methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate.
What is the SMILES notation for methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate?
The canonical SMILES for methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate is CCc1oncc1-c1cc(F)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate?
The InChIKey is HRFAPTADTZRBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-12-11(7-15-18-12)8-4-9(13(16)17-2)6-10(14)5-8/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate?
methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate has a molecular weight of 249.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate is sourced from PubChem (CID 164527005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).