ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate

C30H37NO5 — CID 20823143

About ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate

ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate (PubChem CID 20823143) has the molecular formula C30H37NO5 and a molecular weight of 491.63 g/mol. Its IUPAC name is ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate.

Molecular Properties

• Compound Name: ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
• PubChem CID: 20823143
• Molecular Formula: C30H37NO5
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.27
• IUPAC Name: ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate
• SMILES: CCOC(=O)C(C)(Cc1ccc(OCCc2nc(C3CCCCC3)oc2C)cc1)Oc1ccccc1
• InChI: InChI=1S/C30H37NO5/c1-4-33-29(32)30(3,36-26-13-9-6-10-14-26)21-23-15-17-25(18-16-23)34-20-19-27-22(2)35-28(31-27)24-11-7-5-8-12-24/h6,9-10,13-18,24H,4-5,7-8,11-12,19-21H2,1-3H3
• InChIKey: SHVLBJJEVQYGDN-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 70.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate (CID 20823143) is ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate.

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

The canonical SMILES for ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate is CCOC(=O)C(C)(Cc1ccc(OCCc2nc(C3CCCCC3)oc2C)cc1)Oc1ccccc1.

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

The InChIKey is SHVLBJJEVQYGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO5/c1-4-33-29(32)30(3,36-26-13-9-6-10-14-26)21-23-15-17-25(18-16-23)34-20-19-27-22(2)35-28(31-27)24-11-7-5-8-12-24/h6,9-10,13-18,24H,4-5,7-8,11-12,19-21H2,1-3H3.

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

ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate has a molecular weight of 491.63 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methyl-2-phenoxypropanoate is sourced from PubChem (CID 20823143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).