[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate

C17H13FN2O4 — CID 18171401

IUPAC[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
SMILESCOc1ccccc1-c1noc(COC(=O)c2ccccc2F)n1
InChIInChI=1S/C17H13FN2O4/c1-22-14-9-5-3-7-12(14)16-19-15(24-20-16)10-23-17(21)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3
InChIKeyXIHIIYCNSXXTPP-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.24
Rot. Bonds5

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate (PubChem CID 18171401) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
PubChem CID18171401
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
SMILESCOc1ccccc1-c1noc(COC(=O)c2ccccc2F)n1
InChIInChI=1S/C17H13FN2O4/c1-22-14-9-5-3-7-12(14)16-19-15(24-20-16)10-23-17(21)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3
InChIKeyXIHIIYCNSXXTPP-UHFFFAOYSA-N
XLogP3.24
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766539
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667408
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8837627
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2H-chromene-3-carboxylate
CID 8746428
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
CID 55512514
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485514
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-5-sulfamoylbenzoate
CID 16594554
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 55357349
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55561765

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate (CID 18171401) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate is COc1ccccc1-c1noc(COC(=O)c2ccccc2F)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate?
The InChIKey is XIHIIYCNSXXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-22-14-9-5-3-7-12(14)16-19-15(24-20-16)10-23-17(21)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate?
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate has a molecular weight of 328.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate is sourced from PubChem (CID 18171401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).