methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C15H11FN2O3 — CID 25247957

IUPACmethyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H11FN2O3/c1-8-7-11(15(19)20-2)12-13(18-21-14(12)17-8)9-3-5-10(16)6-4-9/h3-7H,1-2H3
InChIKeyJEWNDGOFYWYPBF-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.12
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247957) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247957
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H11FN2O3/c1-8-7-11(15(19)20-2)12-13(18-21-14(12)17-8)9-3-5-10(16)6-4-9/h3-7H,1-2H3
InChIKeyJEWNDGOFYWYPBF-UHFFFAOYSA-N
XLogP3.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 25247957) is methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C)nc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is JEWNDGOFYWYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-7-11(15(19)20-2)12-13(18-21-14(12)17-8)9-3-5-10(16)6-4-9/h3-7H,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 286.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).