2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

C20H23Cl2N5O4 — CID 55791792

About 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 55791792) has the molecular formula C20H23Cl2N5O4 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
• PubChem CID: 55791792
• Molecular Formula: C20H23Cl2N5O4
• Molecular Weight: 468.34 g/mol
• Exact Mass: 467.11
• IUPAC Name: 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
• SMILES: Cc1cc(NC(=O)CN2CCN(C(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)CC2)no1
• InChI: InChI=1S/C20H23Cl2N5O4/c1-12-10-16(25-31-12)24-17(28)11-26-6-8-27(9-7-26)20(30)13(2)23-19(29)14-4-3-5-15(21)18(14)22/h3-5,10,13H,6-9,11H2,1-2H3,(H,23,29)(H,24,25,28)
• InChIKey: PFFWTBFQEVAGGJ-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.34
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?

The IUPAC name of 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (CID 55791792) is 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is Cc1cc(NC(=O)CN2CCN(C(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)CC2)no1.

What is the InChIKey of 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?

The InChIKey is PFFWTBFQEVAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O4/c1-12-10-16(25-31-12)24-17(28)11-26-6-8-27(9-7-26)20(30)13(2)23-19(29)14-4-3-5-15(21)18(14)22/h3-5,10,13H,6-9,11H2,1-2H3,(H,23,29)(H,24,25,28).

What are the key properties of 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?

2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 468.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55791792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).