[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate

C18H15FN2O5 — CID 55512514

IUPAC[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2nc(-c3ccc(C)c(F)c3)no2)c1O
InChIInChI=1S/C18H15FN2O5/c1-10-6-7-11(8-13(10)19)17-20-15(26-21-17)9-25-18(23)12-4-3-5-14(24-2)16(12)22/h3-8,22H,9H2,1-2H3
InChIKeyZZYMOWNJDLCOPL-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.26
Rot. Bonds5

About [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate (PubChem CID 55512514) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
PubChem CID55512514
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2nc(-c3ccc(C)c(F)c3)no2)c1O
InChIInChI=1S/C18H15FN2O5/c1-10-6-7-11(8-13(10)19)17-20-15(26-21-17)9-25-18(23)12-4-3-5-14(24-2)16(12)22/h3-8,22H,9H2,1-2H3
InChIKeyZZYMOWNJDLCOPL-UHFFFAOYSA-N
XLogP3.26
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate (CID 55512514) is [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCc2nc(-c3ccc(C)c(F)c3)no2)c1O.
What is the InChIKey of [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is ZZYMOWNJDLCOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c1-10-6-7-11(8-13(10)19)17-20-15(26-21-17)9-25-18(23)12-4-3-5-14(24-2)16(12)22/h3-8,22H,9H2,1-2H3.
What are the key properties of [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate?
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 358.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 55512514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).