4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide

C23H30ClN5O4 — CID 33267225

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

4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide (PubChem CID 33267225) has the molecular formula C23H30ClN5O4 and a molecular weight of 475.98 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
• PubChem CID: 33267225
• Molecular Formula: C23H30ClN5O4
• Molecular Weight: 475.98 g/mol
• Exact Mass: 475.20
• IUPAC Name: 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
• SMILES: CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1
• InChI: InChI=1S/C23H30ClN5O4/c1-4-15(2)21(26-22(31)17-5-7-18(24)8-6-17)23(32)29-11-9-28(10-12-29)14-20(30)25-19-13-16(3)33-27-19/h5-8,13,15,21H,4,9-12,14H2,1-3H3,(H,26,31)(H,25,27,30)/t15-,21-/m0/s1
• InChIKey: WUHQMCVCVPTEBA-BTYIYWSLSA-N
• XLogP: 2.56
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.98
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide (CID 33267225) is 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide.

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

The canonical SMILES for 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1.

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

The InChIKey is WUHQMCVCVPTEBA-BTYIYWSLSA-N. The full InChI is InChI=1S/C23H30ClN5O4/c1-4-15(2)21(26-22(31)17-5-7-18(24)8-6-17)23(32)29-11-9-28(10-12-29)14-20(30)25-19-13-16(3)33-27-19/h5-8,13,15,21H,4,9-12,14H2,1-3H3,(H,26,31)(H,25,27,30)/t15-,21-/m0/s1.

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

4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide has a molecular weight of 475.98 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(2S,3S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 33267225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).