2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

C22H15N3O5S — CID 69435958

IUPAC2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc(-c2cnc(Oc3ccc(O)cc3)s2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O5S/c1-12(25-20(27)15-4-2-3-5-16(15)21(25)28)18-10-17(24-30-18)19-11-23-22(31-19)29-14-8-6-13(26)7-9-14/h2-12,26H,1H3
InChIKeyICSIYIHCHMABLS-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 69435958) has the molecular formula C22H15N3O5S and a molecular weight of 433.45 g/mol. Its IUPAC name is 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID69435958
Molecular FormulaC22H15N3O5S
Molecular Weight433.45 g/mol
Exact Mass433.07
IUPAC Name2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc(-c2cnc(Oc3ccc(O)cc3)s2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H15N3O5S/c1-12(25-20(27)15-4-2-3-5-16(15)21(25)28)18-10-17(24-30-18)19-11-23-22(31-19)29-14-8-6-13(26)7-9-14/h2-12,26H,1H3
InChIKeyICSIYIHCHMABLS-UHFFFAOYSA-N
XLogP4.65
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (CID 69435958) is 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is CC(c1cc(-c2cnc(Oc3ccc(O)cc3)s2)no1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ICSIYIHCHMABLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O5S/c1-12(25-20(27)15-4-2-3-5-16(15)21(25)28)18-10-17(24-30-18)19-11-23-22(31-19)29-14-8-6-13(26)7-9-14/h2-12,26H,1H3.
What are the key properties of 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 433.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-(4-hydroxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69435958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).