methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

C18H15FN2O5 — CID 66718131

IUPACmethyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1
InChIInChI=1S/C18H15FN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-8,22H,9-10H2,1H3
InChIKeyQXUGXXNSEMIWDA-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.73
Rot. Bonds6

About methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (PubChem CID 66718131) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
PubChem CID66718131
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Namemethyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1
InChIInChI=1S/C18H15FN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-8,22H,9-10H2,1H3
InChIKeyQXUGXXNSEMIWDA-UHFFFAOYSA-N
XLogP2.73
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (CID 66718131) is methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2CO)nc1.
What is the InChIKey of methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is QXUGXXNSEMIWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c1-24-18(23)12-4-7-16(20-8-12)25-10-14-15(9-22)26-21-17(14)11-2-5-13(19)6-3-11/h2-8,22H,9-10H2,1H3.
What are the key properties of methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 358.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 66718131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).