N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C23H28N2O4S — CID 55637699

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 55637699) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 55637699
• Molecular Formula: C23H28N2O4S
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.18
• IUPAC Name: N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• SMILES: COc1cc(C(C)NC(=O)Cc2nc(-c3cccs3)oc2C)ccc1OCC(C)C
• InChI: InChI=1S/C23H28N2O4S/c1-14(2)13-28-19-9-8-17(11-20(19)27-5)15(3)24-22(26)12-18-16(4)29-23(25-18)21-7-6-10-30-21/h6-11,14-15H,12-13H2,1-5H3,(H,24,26)
• InChIKey: QIJRIMPLAZBUGI-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 55637699) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is COc1cc(C(C)NC(=O)Cc2nc(-c3cccs3)oc2C)ccc1OCC(C)C.

What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

The InChIKey is QIJRIMPLAZBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-14(2)13-28-19-9-8-17(11-20(19)27-5)15(3)24-22(26)12-18-16(4)29-23(25-18)21-7-6-10-30-21/h6-11,14-15H,12-13H2,1-5H3,(H,24,26).

What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 428.55 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55637699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).