[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate

C37H50N4O5 — CID 152802585

About [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate

[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate (PubChem CID 152802585) has the molecular formula C37H50N4O5 and a molecular weight of 630.83 g/mol. Its IUPAC name is [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate
• PubChem CID: 152802585
• Molecular Formula: C37H50N4O5
• Molecular Weight: 630.83 g/mol
• Exact Mass: 630.38
• IUPAC Name: [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NC(C)C)CC3)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)cc1C
• InChI: InChI=1S/C37H50N4O5/c1-23(2)35-40-32(22-45-35)30-17-18-38-34(20-30)41(36(42)28-11-14-31(15-12-28)46-37(43)39-24(3)4)21-26-7-9-27(10-8-26)29-13-16-33(44-6)25(5)19-29/h13,16-20,22-24,26-28,31H,7-12,14-15,21H2,1-6H3,(H,39,43)
• InChIKey: SOJTTZBVWNAPAP-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.83
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate?

The IUPAC name of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate (CID 152802585) is [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate?

The canonical SMILES for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate is COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)NC(C)C)CC3)c3cc(-c4coc(C(C)C)n4)ccn3)CC2)cc1C.

What is the InChIKey of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate?

The InChIKey is SOJTTZBVWNAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N4O5/c1-23(2)35-40-32(22-45-35)30-17-18-38-34(20-30)41(36(42)28-11-14-31(15-12-28)46-37(43)39-24(3)4)21-26-7-9-27(10-8-26)29-13-16-33(44-6)25(5)19-29/h13,16-20,22-24,26-28,31H,7-12,14-15,21H2,1-6H3,(H,39,43).

What are the key properties of [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate?

[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate has a molecular weight of 630.83 g/mol, XLogP of 8.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 152802585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).