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

C24H21N3O5S — CID 10766519

IUPAC5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
SMILESc1ccc(COCc2cc(-c3cc(COCCc4cc(-c5cccs5)no4)on3)no2)cc1
InChIInChI=1S/C24H21N3O5S/c1-2-5-17(6-3-1)14-29-16-20-13-22(26-32-20)21-12-19(31-25-21)15-28-9-8-18-11-23(27-30-18)24-7-4-10-33-24/h1-7,10-13H,8-9,14-16H2
InChIKeyKEDOEMMAWAQJDV-UHFFFAOYSA-N
MW463.52 g/mol
LogP5.52
Rot. Bonds11

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

5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole (PubChem CID 10766519) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
PubChem CID10766519
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole
SMILESc1ccc(COCc2cc(-c3cc(COCCc4cc(-c5cccs5)no4)on3)no2)cc1
InChIInChI=1S/C24H21N3O5S/c1-2-5-17(6-3-1)14-29-16-20-13-22(26-32-20)21-12-19(31-25-21)15-28-9-8-18-11-23(27-30-18)24-7-4-10-33-24/h1-7,10-13H,8-9,14-16H2
InChIKeyKEDOEMMAWAQJDV-UHFFFAOYSA-N
XLogP5.52
TPSA96.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole?
The IUPAC name of 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole (CID 10766519) is 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole?
The canonical SMILES for 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole is c1ccc(COCc2cc(-c3cc(COCCc4cc(-c5cccs5)no4)on3)no2)cc1.
What is the InChIKey of 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole?
The InChIKey is KEDOEMMAWAQJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-2-5-17(6-3-1)14-29-16-20-13-22(26-32-20)21-12-19(31-25-21)15-28-9-8-18-11-23(27-30-18)24-7-4-10-33-24/h1-7,10-13H,8-9,14-16H2.
What are the key properties of 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole?
5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole has a molecular weight of 463.52 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-3-[5-[2-(3-thiophen-2-yl-1,2-oxazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 10766519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).