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

C18H14F2N2O5 — CID 66718164

IUPACmethyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1
InChIInChI=1S/C18H14F2N2O5/c1-25-18(24)11-3-5-16(21-7-11)26-9-12-15(8-23)27-22-17(12)10-2-4-13(19)14(20)6-10/h2-7,23H,8-9H2,1H3
InChIKeyUBPKEOUOSUFNAX-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.87
Rot. Bonds6

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

methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (PubChem CID 66718164) has the molecular formula C18H14F2N2O5 and a molecular weight of 376.32 g/mol. Its IUPAC name is methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
PubChem CID66718164
Molecular FormulaC18H14F2N2O5
Molecular Weight376.32 g/mol
Exact Mass376.09
IUPAC Namemethyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1
InChIInChI=1S/C18H14F2N2O5/c1-25-18(24)11-3-5-16(21-7-11)26-9-12-15(8-23)27-22-17(12)10-2-4-13(19)14(20)6-10/h2-7,23H,8-9H2,1H3
InChIKeyUBPKEOUOSUFNAX-UHFFFAOYSA-N
XLogP2.87
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (CID 66718164) is methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1.
What is the InChIKey of methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is UBPKEOUOSUFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O5/c1-25-18(24)11-3-5-16(21-7-11)26-9-12-15(8-23)27-22-17(12)10-2-4-13(19)14(20)6-10/h2-7,23H,8-9H2,1H3.
What are the key properties of methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 376.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 66718164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).