(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone

C19H19FN4O2S — CID 36876738

About (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 36876738) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
• PubChem CID: 36876738
• Molecular Formula: C19H19FN4O2S
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.12
• IUPAC Name: (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
• SMILES: C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)c2ccc(F)cc2)CC1
• InChI: InChI=1S/C19H19FN4O2S/c1-13(17-21-22-18(26-17)16-3-2-12-27-16)23-8-10-24(11-9-23)19(25)14-4-6-15(20)7-5-14/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
• InChIKey: VAOPQDQQNXSAAO-CYBMUJFWSA-N
• XLogP: 3.46
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?

The IUPAC name of (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 36876738) is (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone.

What is the SMILES notation for (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?

The canonical SMILES for (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)c2ccc(F)cc2)CC1.

What is the InChIKey of (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?

The InChIKey is VAOPQDQQNXSAAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-13(17-21-22-18(26-17)16-3-2-12-27-16)23-8-10-24(11-9-23)19(25)14-4-6-15(20)7-5-14/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1.

What are the key properties of (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone?

(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 386.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 36876738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).