acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide

C22H28Cl2N4O4 — CID 175513254

About acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide

acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide (PubChem CID 175513254) has the molecular formula C22H28Cl2N4O4 and a molecular weight of 483.40 g/mol. Its IUPAC name is acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
• PubChem CID: 175513254
• Molecular Formula: C22H28Cl2N4O4
• Molecular Weight: 483.40 g/mol
• Exact Mass: 482.15
• IUPAC Name: acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
• SMILES: CC(=O)O.O=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1
• InChI: InChI=1S/C20H24Cl2N4O2.C2H4O2/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;1-2(3)4/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);1H3,(H,3,4)
• InChIKey: IZJREZBNSHIRHK-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 98.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.40
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide?

The IUPAC name of acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide (CID 175513254) is acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide.

What is the SMILES notation for acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide?

The canonical SMILES for acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide is CC(=O)O.O=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.

What is the InChIKey of acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide?

The InChIKey is IZJREZBNSHIRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2.C2H4O2/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;1-2(3)4/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);1H3,(H,3,4).

What are the key properties of acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide?

acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 175513254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).