4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid

C19H19N3O6 — CID 120521695

IUPAC4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)N3CCOCC3C(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C19H19N3O6/c1-9-6-12(11(3)27-9)14-7-13(16-10(2)21-28-17(16)20-14)18(23)22-4-5-26-8-15(22)19(24)25/h6-7,15H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyVDRNISBIRFITQP-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.33
Rot. Bonds3

About 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid

4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 120521695) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID120521695
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC Name4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)N3CCOCC3C(=O)O)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C19H19N3O6/c1-9-6-12(11(3)27-9)14-7-13(16-10(2)21-28-17(16)20-14)18(23)22-4-5-26-8-15(22)19(24)25/h6-7,15H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyVDRNISBIRFITQP-UHFFFAOYSA-N
XLogP2.33
TPSA118.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid (CID 120521695) is 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid is Cc1cc(-c2cc(C(=O)N3CCOCC3C(=O)O)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is VDRNISBIRFITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-9-6-12(11(3)27-9)14-7-13(16-10(2)21-28-17(16)20-14)18(23)22-4-5-26-8-15(22)19(24)25/h6-7,15H,4-5,8H2,1-3H3,(H,24,25).
What are the key properties of 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid?
4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 120521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).