(5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C17H16ClN5O2S — CID 99994075

About (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99994075) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 99994075
• Molecular Formula: C17H16ClN5O2S
• Molecular Weight: 389.87 g/mol
• Exact Mass: 389.07
• IUPAC Name: (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C17H16ClN5O2S/c18-14-4-3-13(26-14)17(24)23-7-1-2-11(10-23)8-15-21-16(22-25-15)12-9-19-5-6-20-12/h3-6,9,11H,1-2,7-8,10H2/t11-/m1/s1
• InChIKey: BXAZDMVFIOTYFW-LLVKDONJSA-N
• XLogP: 3.34
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.87
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99994075) is (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is BXAZDMVFIOTYFW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c18-14-4-3-13(26-14)17(24)23-7-1-2-11(10-23)8-15-21-16(22-25-15)12-9-19-5-6-20-12/h3-6,9,11H,1-2,7-8,10H2/t11-/m1/s1.

What are the key properties of (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

(5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 389.87 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).