3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole

C23H19N3O5S — CID 10527502

About 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole

3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole (PubChem CID 10527502) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
• PubChem CID: 10527502
• Molecular Formula: C23H19N3O5S
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.10
• IUPAC Name: 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole
• SMILES: c1ccc(COCc2cc(-c3cc(COCc4cc(-c5cccs5)no4)on3)no2)cc1
• InChI: InChI=1S/C23H19N3O5S/c1-2-5-16(6-3-1)12-27-13-17-9-20(24-29-17)21-10-18(30-25-21)14-28-15-19-11-22(26-31-19)23-7-4-8-32-23/h1-11H,12-15H2
• InChIKey: FPWACMYYDHSWCE-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 96.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?

The IUPAC name of 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole (CID 10527502) is 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole.

What is the SMILES notation for 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?

The canonical SMILES for 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole is c1ccc(COCc2cc(-c3cc(COCc4cc(-c5cccs5)no4)on3)no2)cc1.

What is the InChIKey of 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?

The InChIKey is FPWACMYYDHSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-2-5-16(6-3-1)12-27-13-17-9-20(24-29-17)21-10-18(30-25-21)14-28-15-19-11-22(26-31-19)23-7-4-8-32-23/h1-11H,12-15H2.

What are the key properties of 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole?

3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole has a molecular weight of 449.49 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-5-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 10527502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).