methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate

C19H19N3O5 — CID 51328474

IUPACmethyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1
InChIInChI=1S/C19H19N3O5/c1-11-16-13(18(23)22-7-5-12(6-8-22)19(24)25-2)10-14(15-4-3-9-26-15)20-17(16)27-21-11/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyZRIJTBXINHHFGN-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.82
Rot. Bonds3

About methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate

methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 51328474) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
PubChem CID51328474
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1
InChIInChI=1S/C19H19N3O5/c1-11-16-13(18(23)22-7-5-12(6-8-22)19(24)25-2)10-14(15-4-3-9-26-15)20-17(16)27-21-11/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyZRIJTBXINHHFGN-UHFFFAOYSA-N
XLogP2.82
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate (CID 51328474) is methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(-c3ccco3)nc3onc(C)c23)CC1.
What is the InChIKey of methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is ZRIJTBXINHHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-16-13(18(23)22-7-5-12(6-8-22)19(24)25-2)10-14(15-4-3-9-26-15)20-17(16)27-21-11/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate?
methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 51328474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).