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

C26H21N3O5S — CID 69437921

IUPAC2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc(-c2cnc(Oc3cccc(OCC4CC4)c3)s2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H21N3O5S/c1-15(29-24(30)19-7-2-3-8-20(19)25(29)31)22-12-21(28-34-22)23-13-27-26(35-23)33-18-6-4-5-17(11-18)32-14-16-9-10-16/h2-8,11-13,15-16H,9-10,14H2,1H3
InChIKeyPVLDVWROIMONDD-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.74
Rot. Bonds8

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

2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 69437921) has the molecular formula C26H21N3O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID69437921
Molecular FormulaC26H21N3O5S
Molecular Weight487.54 g/mol
Exact Mass487.12
IUPAC Name2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc(-c2cnc(Oc3cccc(OCC4CC4)c3)s2)no1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H21N3O5S/c1-15(29-24(30)19-7-2-3-8-20(19)25(29)31)22-12-21(28-34-22)23-13-27-26(35-23)33-18-6-4-5-17(11-18)32-14-16-9-10-16/h2-8,11-13,15-16H,9-10,14H2,1H3
InChIKeyPVLDVWROIMONDD-UHFFFAOYSA-N
XLogP5.74
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
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-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (CID 69437921) is 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-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-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is CC(c1cc(-c2cnc(Oc3cccc(OCC4CC4)c3)s2)no1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is PVLDVWROIMONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5S/c1-15(29-24(30)19-7-2-3-8-20(19)25(29)31)22-12-21(28-34-22)23-13-27-26(35-23)33-18-6-4-5-17(11-18)32-14-16-9-10-16/h2-8,11-13,15-16H,9-10,14H2,1H3.
What are the key properties of 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 487.54 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-[3-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69437921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).