[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate

C36H47N5O6 — CID 142431217

About [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate

[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate (PubChem CID 142431217) has the molecular formula C36H47N5O6 and a molecular weight of 645.80 g/mol. Its IUPAC name is [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate.

Molecular Properties

• Compound Name: [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate
• PubChem CID: 142431217
• Molecular Formula: C36H47N5O6
• Molecular Weight: 645.80 g/mol
• Exact Mass: 645.35
• IUPAC Name: [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate
• SMILES: COCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cc(-c3coc(C4CC4)n3)ccn2)CC1
• InChI: InChI=1S/C36H47N5O6/c1-23-32(45-3)15-14-30(39-23)25-6-4-24(5-7-25)21-41(33-20-28(16-17-37-33)31-22-46-34(40-31)26-8-9-26)35(42)27-10-12-29(13-11-27)47-36(43)38-18-19-44-2/h14-17,20,22,24-27,29H,4-13,18-19,21H2,1-3H3,(H,38,43)
• InChIKey: CXMYXPLOAGQXTG-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 128.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.80
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate?

The IUPAC name of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate (CID 142431217) is [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate.

What is the SMILES notation for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate?

The canonical SMILES for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate is COCCNC(=O)OC1CCC(C(=O)N(CC2CCC(c3ccc(OC)c(C)n3)CC2)c2cc(-c3coc(C4CC4)n3)ccn2)CC1.

What is the InChIKey of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate?

The InChIKey is CXMYXPLOAGQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N5O6/c1-23-32(45-3)15-14-30(39-23)25-6-4-24(5-7-25)21-41(33-20-28(16-17-37-33)31-22-46-34(40-31)26-8-9-26)35(42)27-10-12-29(13-11-27)47-36(43)38-18-19-44-2/h14-17,20,22,24-27,29H,4-13,18-19,21H2,1-3H3,(H,38,43).

What are the key properties of [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate?

[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate has a molecular weight of 645.80 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 142431217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).