3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid

C28H38N2O5 — CID 71135782

About 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid (PubChem CID 71135782) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid
• PubChem CID: 71135782
• Molecular Formula: C28H38N2O5
• Molecular Weight: 482.62 g/mol
• Exact Mass: 482.28
• IUPAC Name: 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid
• SMILES: COc1cc(C)ccc1CNC(=O)CC(CC(=O)O)c1noc(C2CC(CC(C)C)C2)c1C1CC1
• InChI: InChI=1S/C28H38N2O5/c1-16(2)9-18-11-22(12-18)28-26(19-7-8-19)27(30-35-28)21(14-25(32)33)13-24(31)29-15-20-6-5-17(3)10-23(20)34-4/h5-6,10,16,18-19,21-22H,7-9,11-15H2,1-4H3,(H,29,31)(H,32,33)
• InChIKey: MYMICBLZQLGVLZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 101.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid?

The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid (CID 71135782) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid.

What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid?

The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid is COc1cc(C)ccc1CNC(=O)CC(CC(=O)O)c1noc(C2CC(CC(C)C)C2)c1C1CC1.

What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid?

The InChIKey is MYMICBLZQLGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-16(2)9-18-11-22(12-18)28-26(19-7-8-19)27(30-35-28)21(14-25(32)33)13-24(31)29-15-20-6-5-17(3)10-23(20)34-4/h5-6,10,16,18-19,21-22H,7-9,11-15H2,1-4H3,(H,29,31)(H,32,33).

What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid?

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid has a molecular weight of 482.62 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-[(2-methoxy-4-methylphenyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 71135782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).