4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide

C25H33N5O5 — CID 146576764

About 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide

4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 146576764) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 146576764
• Molecular Formula: C25H33N5O5
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.25
• IUPAC Name: 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: CCC[C@H](C)CC[C@H](NC(=O)c1oncc1C)C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2
• InChI: InChI=1S/C25H33N5O5/c1-4-5-15(2)6-7-18(28-23(32)21-16(3)13-27-35-21)22(31)30-20-12-19-17(14-26-20)25(24(33)29-19)8-10-34-11-9-25/h12-15,18H,4-11H2,1-3H3,(H,28,32)(H,29,33)(H,26,30,31)/t15-,18-/m0/s1
• InChIKey: UKEFUERJXAKUOR-YJBOKZPZSA-N
• XLogP: 3.33
• TPSA: 135.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide (CID 146576764) is 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide is CCC[C@H](C)CC[C@H](NC(=O)c1oncc1C)C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2.

What is the InChIKey of 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide?

The InChIKey is UKEFUERJXAKUOR-YJBOKZPZSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-4-5-15(2)6-7-18(28-23(32)21-16(3)13-27-35-21)22(31)30-20-12-19-17(14-26-20)25(24(33)29-19)8-10-34-11-9-25/h12-15,18H,4-11H2,1-3H3,(H,28,32)(H,29,33)(H,26,30,31)/t15-,18-/m0/s1.

What are the key properties of 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide?

4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(2S,5S)-5-methyl-1-oxo-1-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]octan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146576764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).