methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate

C20H13FN2O4 — CID 67529899

IUPACmethyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)c2nc(-c3ccccc3)oc2c1O
InChIInChI=1S/C20H13FN2O4/c1-26-20(25)16-17(24)18-15(14(22-16)11-7-9-13(21)10-8-11)23-19(27-18)12-5-3-2-4-6-12/h2-10,24H,1H3
InChIKeyFRSBAQIMYBUIPA-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.19
Rot. Bonds3

About methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate

methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate (PubChem CID 67529899) has the molecular formula C20H13FN2O4 and a molecular weight of 364.33 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate
PubChem CID67529899
Molecular FormulaC20H13FN2O4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Namemethyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)c2nc(-c3ccccc3)oc2c1O
InChIInChI=1S/C20H13FN2O4/c1-26-20(25)16-17(24)18-15(14(22-16)11-7-9-13(21)10-8-11)23-19(27-18)12-5-3-2-4-6-12/h2-10,24H,1H3
InChIKeyFRSBAQIMYBUIPA-UHFFFAOYSA-N
XLogP4.19
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate (CID 67529899) is methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate is COC(=O)c1nc(-c2ccc(F)cc2)c2nc(-c3ccccc3)oc2c1O.
What is the InChIKey of methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate?
The InChIKey is FRSBAQIMYBUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4/c1-26-20(25)16-17(24)18-15(14(22-16)11-7-9-13(21)10-8-11)23-19(27-18)12-5-3-2-4-6-12/h2-10,24H,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate?
methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate has a molecular weight of 364.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-7-hydroxy-2-phenyl-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 67529899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).