About 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 67786113) has the molecular formula C15H19N3O4
and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.
Molecular Properties
| Compound Name | 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide |
| PubChem CID | 67786113 |
| Molecular Formula | C15H19N3O4 |
| Molecular Weight | 305.33 g/mol |
| Exact Mass | 305.14 |
| IUPAC Name | 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide |
| SMILES | O=C1C=Cc2nc(CCNC(=O)CN3CCOCC3)oc2C1 |
| InChI | InChI=1S/C15H19N3O4/c19-11-1-2-12-13(9-11)22-15(17-12)3-4-16-14(20)10-18-5-7-21-8-6-18/h1-2H,3-10H2,(H,16,20) |
| InChIKey | WFACKXRSHAGBDG-UHFFFAOYSA-N |
| XLogP | -0.20 |
| TPSA | 84.67 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 305.33 |
| LogP ≤ 5 | -0.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 67786113) is 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is O=C1C=Cc2nc(CCNC(=O)CN3CCOCC3)oc2C1.
What is the InChIKey of 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is WFACKXRSHAGBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-11-1-2-12-13(9-11)22-15(17-12)3-4-16-14(20)10-18-5-7-21-8-6-18/h1-2H,3-10H2,(H,16,20).
What are the key properties of 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 305.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 67786113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).