(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

C16H17N3O5 — CID 125135028

About (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 125135028) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 125135028
• Molecular Formula: C16H17N3O5
• Molecular Weight: 331.33 g/mol
• Exact Mass: 331.12
• IUPAC Name: (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
• SMILES: Cc1nc(COc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)no1
• InChI: InChI=1S/C16H17N3O5/c1-10-17-14(18-24-10)9-23-13-5-3-2-4-12(13)15(20)19-7-6-11(8-19)16(21)22/h2-5,11H,6-9H2,1H3,(H,21,22)/t11-/m1/s1
• InChIKey: WVERKFJTYPPQTK-LLVKDONJSA-N
• XLogP: 1.50
• TPSA: 105.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.33
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (CID 125135028) is (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is Cc1nc(COc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)no1.

What is the InChIKey of (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The InChIKey is WVERKFJTYPPQTK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10-17-14(18-24-10)9-23-13-5-3-2-4-12(13)15(20)19-7-6-11(8-19)16(21)22/h2-5,11H,6-9H2,1H3,(H,21,22)/t11-/m1/s1.

What are the key properties of (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

(3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125135028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).