(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C16H14N4O2S — CID 51896263

About (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 51896263) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
• PubChem CID: 51896263
• Molecular Formula: C16H14N4O2S
• Molecular Weight: 326.38 g/mol
• Exact Mass: 326.08
• IUPAC Name: (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
• SMILES: O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1cccs1
• InChI: InChI=1S/C16H14N4O2S/c21-14-8-11(9-20(14)10-12-4-3-7-23-12)16-18-15(19-22-16)13-5-1-2-6-17-13/h1-7,11H,8-10H2/t11-/m1/s1
• InChIKey: XODKCXKPDHFQAE-LLVKDONJSA-N
• XLogP: 2.71
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.38
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?

The IUPAC name of (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 51896263) is (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?

The canonical SMILES for (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1Cc1cccs1.

What is the InChIKey of (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?

The InChIKey is XODKCXKPDHFQAE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14-8-11(9-20(14)10-12-4-3-7-23-12)16-18-15(19-22-16)13-5-1-2-6-17-13/h1-7,11H,8-10H2/t11-/m1/s1.

What are the key properties of (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?

(4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 326.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 51896263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).