ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate

C32H35NO6 — CID 69232281

About ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate

ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate (PubChem CID 69232281) has the molecular formula C32H35NO6 and a molecular weight of 529.63 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate.

Molecular Properties

• Compound Name: ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
• PubChem CID: 69232281
• Molecular Formula: C32H35NO6
• Molecular Weight: 529.63 g/mol
• Exact Mass: 529.25
• IUPAC Name: ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
• SMILES: CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1COc1cccc(C)c1
• InChI: InChI=1S/C32H35NO6/c1-6-35-31(34)32(4,5)39-29-16-15-27(20-25(29)21-37-26-14-10-11-22(2)19-26)36-18-17-28-23(3)38-30(33-28)24-12-8-7-9-13-24/h7-16,19-20H,6,17-18,21H2,1-5H3
• InChIKey: FIHGITXPNXOCKG-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 80.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.63
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate (CID 69232281) is ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate.

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

The canonical SMILES for ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1COc1cccc(C)c1.

What is the InChIKey of ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate?

The InChIKey is FIHGITXPNXOCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO6/c1-6-35-31(34)32(4,5)39-29-16-15-27(20-25(29)21-37-26-14-10-11-22(2)19-26)36-18-17-28-23(3)38-30(33-28)24-12-8-7-9-13-24/h7-16,19-20H,6,17-18,21H2,1-5H3.

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

ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate has a molecular weight of 529.63 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate is sourced from PubChem (CID 69232281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).