ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate

C34H54N2O5 — CID 71127342

About ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate

ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate (PubChem CID 71127342) has the molecular formula C34H54N2O5 and a molecular weight of 570.82 g/mol. Its IUPAC name is ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate
• PubChem CID: 71127342
• Molecular Formula: C34H54N2O5
• Molecular Weight: 570.82 g/mol
• Exact Mass: 570.40
• IUPAC Name: ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate
• SMILES: CCOC(=O)C1CC(CC(CC(=O)OC(C)(C)C)c2noc(C3CC(CC(C)C)C3)c2C2CC2)C1N1CCCCC1
• InChI: InChI=1S/C34H54N2O5/c1-7-39-33(38)27-19-25(31(27)36-13-9-8-10-14-36)18-24(20-28(37)40-34(4,5)6)30-29(23-11-12-23)32(41-35-30)26-16-22(17-26)15-21(2)3/h21-27,31H,7-20H2,1-6H3
• InChIKey: XMEVLQKGBLJDMT-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 81.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.82
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate?

The IUPAC name of ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate (CID 71127342) is ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate.

What is the SMILES notation for ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate?

The canonical SMILES for ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate is CCOC(=O)C1CC(CC(CC(=O)OC(C)(C)C)c2noc(C3CC(CC(C)C)C3)c2C2CC2)C1N1CCCCC1.

What is the InChIKey of ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate?

The InChIKey is XMEVLQKGBLJDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N2O5/c1-7-39-33(38)27-19-25(31(27)36-13-9-8-10-14-36)18-24(20-28(37)40-34(4,5)6)30-29(23-11-12-23)32(41-35-30)26-16-22(17-26)15-21(2)3/h21-27,31H,7-20H2,1-6H3.

What are the key properties of ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate?

ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate has a molecular weight of 570.82 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-2-piperidin-1-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 71127342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).