methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate

C26H25NO4 — CID 46837096

About methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate

methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate (PubChem CID 46837096) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate.

Molecular Properties

• Compound Name: methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
• PubChem CID: 46837096
• Molecular Formula: C26H25NO4
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.18
• IUPAC Name: methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
• SMILES: COC(=O)[C@@H](C)c1ccc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2c1
• InChI: InChI=1S/C26H25NO4/c1-17(26(28)29-3)20-9-10-22-16-23(12-11-21(22)15-20)30-14-13-24-18(2)31-25(27-24)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3/t17-/m0/s1
• InChIKey: HMTFNVLCJOROQV-KRWDZBQOSA-N
• XLogP: 5.70
• TPSA: 61.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate?

The IUPAC name of methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate (CID 46837096) is methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate.

What is the SMILES notation for methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate?

The canonical SMILES for methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate is COC(=O)[C@@H](C)c1ccc2cc(OCCc3nc(-c4ccccc4)oc3C)ccc2c1.

What is the InChIKey of methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate?

The InChIKey is HMTFNVLCJOROQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25NO4/c1-17(26(28)29-3)20-9-10-22-16-23(12-11-21(22)15-20)30-14-13-24-18(2)31-25(27-24)19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3/t17-/m0/s1.

What are the key properties of methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate?

methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate has a molecular weight of 415.49 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate is sourced from PubChem (CID 46837096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).