6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid

C18H15N3O6 — CID 170350528

About 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid

6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid (PubChem CID 170350528) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 170350528
• Molecular Formula: C18H15N3O6
• Molecular Weight: 369.33 g/mol
• Exact Mass: 369.10
• IUPAC Name: 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
• SMILES: CN1CCC(O)(c2cc(-c3ccc(-c4cccc(C(=O)O)n4)o3)no2)C1=O
• InChI: InChI=1S/C18H15N3O6/c1-21-8-7-18(25,17(21)24)15-9-12(20-27-15)14-6-5-13(26-14)10-3-2-4-11(19-10)16(22)23/h2-6,9,25H,7-8H2,1H3,(H,22,23)
• InChIKey: CXJSXVDMBFKLCN-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 129.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.33
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid (CID 170350528) is 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid is CN1CCC(O)(c2cc(-c3ccc(-c4cccc(C(=O)O)n4)o3)no2)C1=O.

What is the InChIKey of 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is CXJSXVDMBFKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-21-8-7-18(25,17(21)24)15-9-12(20-27-15)14-6-5-13(26-14)10-3-2-4-11(19-10)16(22)23/h2-6,9,25H,7-8H2,1H3,(H,22,23).

What are the key properties of 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid?

6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 369.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170350528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).