ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate

C23H27NO5S — CID 10477742

About ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate

ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate (PubChem CID 10477742) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate.

Molecular Properties

• Compound Name: ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate
• PubChem CID: 10477742
• Molecular Formula: C23H27NO5S
• Molecular Weight: 429.54 g/mol
• Exact Mass: 429.16
• IUPAC Name: ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate
• SMILES: CCOC(=O)[C@@H](Cc1ccc(OCc2nc(-c3ccc(C)s3)oc2C)cc1)OCC
• InChI: InChI=1S/C23H27NO5S/c1-5-26-20(23(25)27-6-2)13-17-8-10-18(11-9-17)28-14-19-16(4)29-22(24-19)21-12-7-15(3)30-21/h7-12,20H,5-6,13-14H2,1-4H3/t20-/m1/s1
• InChIKey: XRWJINYJLTYZFV-HXUWFJFHSA-N
• XLogP: 5.11
• TPSA: 70.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate (CID 10477742) is ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate.

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

The canonical SMILES for ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate is CCOC(=O)[C@@H](Cc1ccc(OCc2nc(-c3ccc(C)s3)oc2C)cc1)OCC.

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

The InChIKey is XRWJINYJLTYZFV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-5-26-20(23(25)27-6-2)13-17-8-10-18(11-9-17)28-14-19-16(4)29-22(24-19)21-12-7-15(3)30-21/h7-12,20H,5-6,13-14H2,1-4H3/t20-/m1/s1.

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

ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate has a molecular weight of 429.54 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2R)-2-ethoxy-3-[4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 10477742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).