2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

C18H20ClN7O2 — CID 78835628

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 78835628) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 78835628
• Molecular Formula: C18H20ClN7O2
• Molecular Weight: 401.86 g/mol
• Exact Mass: 401.14
• IUPAC Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
• SMILES: Cc1cc(CN2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)on1
• InChI: InChI=1S/C18H20ClN7O2/c1-13-10-16(28-22-13)11-24-6-8-25(9-7-24)17(27)12-26-21-18(20-23-26)14-2-4-15(19)5-3-14/h2-5,10H,6-9,11-12H2,1H3
• InChIKey: JGTBPPBBTWBKCP-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 93.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.86
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 78835628) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is Cc1cc(CN2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)on1.

What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is JGTBPPBBTWBKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-13-10-16(28-22-13)11-24-6-8-25(9-7-24)17(27)12-26-21-18(20-23-26)14-2-4-15(19)5-3-14/h2-5,10H,6-9,11-12H2,1H3.

What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?

2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 401.86 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78835628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).