2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid

C16H21N3O4 — CID 167819153

About 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid

2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid (PubChem CID 167819153) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid
• PubChem CID: 167819153
• Molecular Formula: C16H21N3O4
• Molecular Weight: 319.36 g/mol
• Exact Mass: 319.15
• IUPAC Name: 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid
• SMILES: Cc1noc(CC2CCCN(Cc3cc(C(=O)O)c(C)o3)C2)n1
• InChI: InChI=1S/C16H21N3O4/c1-10-14(16(20)21)7-13(22-10)9-19-5-3-4-12(8-19)6-15-17-11(2)18-23-15/h7,12H,3-6,8-9H2,1-2H3,(H,20,21)
• InChIKey: KKXRWWHIYIRQGF-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 92.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.36
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid?

The IUPAC name of 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid (CID 167819153) is 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid.

What is the SMILES notation for 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid?

The canonical SMILES for 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid is Cc1noc(CC2CCCN(Cc3cc(C(=O)O)c(C)o3)C2)n1.

What is the InChIKey of 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid?

The InChIKey is KKXRWWHIYIRQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-14(16(20)21)7-13(22-10)9-19-5-3-4-12(8-19)6-15-17-11(2)18-23-15/h7,12H,3-6,8-9H2,1-2H3,(H,20,21).

What are the key properties of 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid?

2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 167819153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).