ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

C23H24ClN5O7 — CID 40783316

About ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 40783316) has the molecular formula C23H24ClN5O7 and a molecular weight of 517.93 g/mol. Its IUPAC name is ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
• PubChem CID: 40783316
• Molecular Formula: C23H24ClN5O7
• Molecular Weight: 517.93 g/mol
• Exact Mass: 517.14
• IUPAC Name: ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
• SMILES: CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1
• InChI: InChI=1S/C23H24ClN5O7/c1-3-33-23(32)18-9-14(36-28-18)10-25-21(30)17-8-13(35-27-17)11-26-22(31)19-12(2)34-29-20(19)15-6-4-5-7-16(15)24/h4-7,13-14H,3,8-11H2,1-2H3,(H,25,30)(H,26,31)/t13-,14-/m0/s1
• InChIKey: JGYBLEIUOMVEGQ-KBPBESRZSA-N
• XLogP: 2.00
• TPSA: 153.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.93
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?

The IUPAC name of ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 40783316) is ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

What is the SMILES notation for ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?

The canonical SMILES for ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1.

What is the InChIKey of ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?

The InChIKey is JGYBLEIUOMVEGQ-KBPBESRZSA-N. The full InChI is InChI=1S/C23H24ClN5O7/c1-3-33-23(32)18-9-14(36-28-18)10-25-21(30)17-8-13(35-27-17)11-26-22(31)19-12(2)34-29-20(19)15-6-4-5-7-16(15)24/h4-7,13-14H,3,8-11H2,1-2H3,(H,25,30)(H,26,31)/t13-,14-/m0/s1.

What are the key properties of ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?

ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 517.93 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 40783316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).