2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

C18H28Cl2N4O4 — CID 120799357

About 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799357) has the molecular formula C18H28Cl2N4O4 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
• PubChem CID: 120799357
• Molecular Formula: C18H28Cl2N4O4
• Molecular Weight: 435.35 g/mol
• Exact Mass: 434.15
• IUPAC Name: 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
• SMILES: CN(C)CCn1c(=O)oc2ccc(NC(=O)C(N)C3CCOCC3)cc21.Cl.Cl
• InChI: InChI=1S/C18H26N4O4.2ClH/c1-21(2)7-8-22-14-11-13(3-4-15(14)26-18(22)24)20-17(23)16(19)12-5-9-25-10-6-12;;/h3-4,11-12,16H,5-10,19H2,1-2H3,(H,20,23);2*1H
• InChIKey: DBRNHPZXEMLRHI-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 102.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.35
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The IUPAC name of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799357) is 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

What is the SMILES notation for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The canonical SMILES for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)CCn1c(=O)oc2ccc(NC(=O)C(N)C3CCOCC3)cc21.Cl.Cl.

What is the InChIKey of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The InChIKey is DBRNHPZXEMLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4.2ClH/c1-21(2)7-8-22-14-11-13(3-4-15(14)26-18(22)24)20-17(23)16(19)12-5-9-25-10-6-12;;/h3-4,11-12,16H,5-10,19H2,1-2H3,(H,20,23);2*1H.

What are the key properties of 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?

2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 435.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).