4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide

C38H49N5O6S — CID 175690974

About 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide

4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 175690974) has the molecular formula C38H49N5O6S and a molecular weight of 703.91 g/mol. Its IUPAC name is 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
• PubChem CID: 175690974
• Molecular Formula: C38H49N5O6S
• Molecular Weight: 703.91 g/mol
• Exact Mass: 703.34
• IUPAC Name: 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CNC(=O)C3CCC(CC(=O)N4CC(S(C)(=O)=O)C4)(c4cc(-c5coc(C6CC6)n5)ccn4)CC3)CC2)nc1C
• InChI: InChI=1S/C38H49N5O6S/c1-24-33(48-2)11-10-31(41-24)26-6-4-25(5-7-26)20-40-36(45)27-12-15-38(16-13-27,19-35(44)43-21-30(22-43)50(3,46)47)34-18-29(14-17-39-34)32-23-49-37(42-32)28-8-9-28/h10-11,14,17-18,23,25-28,30H,4-9,12-13,15-16,19-22H2,1-3H3,(H,40,45)
• InChIKey: SVOSPAULPVERBT-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 144.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.91
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide (CID 175690974) is 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CNC(=O)C3CCC(CC(=O)N4CC(S(C)(=O)=O)C4)(c4cc(-c5coc(C6CC6)n5)ccn4)CC3)CC2)nc1C.

What is the InChIKey of 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?

The InChIKey is SVOSPAULPVERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N5O6S/c1-24-33(48-2)11-10-31(41-24)26-6-4-25(5-7-26)20-40-36(45)27-12-15-38(16-13-27,19-35(44)43-21-30(22-43)50(3,46)47)34-18-29(14-17-39-34)32-23-49-37(42-32)28-8-9-28/h10-11,14,17-18,23,25-28,30H,4-9,12-13,15-16,19-22H2,1-3H3,(H,40,45).

What are the key properties of 4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide?

4-[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 703.91 g/mol, XLogP of 5.49, 11 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]-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]-4-[2-(3-methylsulfonylazetidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 175690974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).