(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

C18H21N5O2S — CID 167967948

About (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 167967948) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 167967948
• Molecular Formula: C18H21N5O2S
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.14
• IUPAC Name: (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCN(Cc3cc(-c4cccs4)on3)CC2)n(C)n1
• InChI: InChI=1S/C18H21N5O2S/c1-13-10-15(21(2)19-13)18(24)23-7-5-22(6-8-23)12-14-11-16(25-20-14)17-4-3-9-26-17/h3-4,9-11H,5-8,12H2,1-2H3
• InChIKey: XIJJTINACPQFAP-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 67.40 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?

The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (CID 167967948) is (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3cc(-c4cccs4)on3)CC2)n(C)n1.

What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?

The InChIKey is XIJJTINACPQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13-10-15(21(2)19-13)18(24)23-7-5-22(6-8-23)12-14-11-16(25-20-14)17-4-3-9-26-17/h3-4,9-11H,5-8,12H2,1-2H3.

What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?

(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 371.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 167967948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).