methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate

C12H10FNO4 — CID 82629369

IUPACmethyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(F)ccc2OC)on1
InChIInChI=1S/C12H10FNO4/c1-16-10-4-3-7(13)5-8(10)11-6-9(14-18-11)12(15)17-2/h3-6H,1-2H3
InChIKeyZDVLQTJIXJRJBS-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.28
Rot. Bonds3

About methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate

methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 82629369) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID82629369
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Namemethyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(F)ccc2OC)on1
InChIInChI=1S/C12H10FNO4/c1-16-10-4-3-7(13)5-8(10)11-6-9(14-18-11)12(15)17-2/h3-6H,1-2H3
InChIKeyZDVLQTJIXJRJBS-UHFFFAOYSA-N
XLogP2.28
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate (CID 82629369) is methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2cc(F)ccc2OC)on1.
What is the InChIKey of methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is ZDVLQTJIXJRJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-16-10-4-3-7(13)5-8(10)11-6-9(14-18-11)12(15)17-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 251.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 82629369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).