1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone

C21H23N3O3S — CID 125018833

About 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone

1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 125018833) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
• PubChem CID: 125018833
• Molecular Formula: C21H23N3O3S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.15
• IUPAC Name: 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
• SMILES: CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1
• InChI: InChI=1S/C21H23N3O3S/c1-3-18-21(14(2)23-27-18)17-8-4-7-16(22-17)19-13-24(9-10-26-19)20(25)12-15-6-5-11-28-15/h4-8,11,19H,3,9-10,12-13H2,1-2H3/t19-/m1/s1
• InChIKey: XRTPEYIKYRELPP-LJQANCHMSA-N
• XLogP: 3.81
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?

The IUPAC name of 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone (CID 125018833) is 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone.

What is the SMILES notation for 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?

The canonical SMILES for 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone is CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1.

What is the InChIKey of 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?

The InChIKey is XRTPEYIKYRELPP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-18-21(14(2)23-27-18)17-8-4-7-16(22-17)19-13-24(9-10-26-19)20(25)12-15-6-5-11-28-15/h4-8,11,19H,3,9-10,12-13H2,1-2H3/t19-/m1/s1.

What are the key properties of 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone?

1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 397.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 125018833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).