2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

C24H20N4O5S — CID 69436822

IUPAC2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)N4C(=O)c5ccccc5C4=O)on3)s2)cn1
InChIInChI=1S/C24H20N4O5S/c1-13(2)31-21-9-8-15(11-25-21)32-24-26-12-20(34-24)18-10-19(33-27-18)14(3)28-22(29)16-6-4-5-7-17(16)23(28)30/h4-14H,1-3H3
InChIKeyNGOLRXMMFLNCME-UHFFFAOYSA-N
MW476.51 g/mol
LogP5.13
Rot. Bonds7

About 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione

2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (PubChem CID 69436822) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
PubChem CID69436822
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC Name2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)N4C(=O)c5ccccc5C4=O)on3)s2)cn1
InChIInChI=1S/C24H20N4O5S/c1-13(2)31-21-9-8-15(11-25-21)32-24-26-12-20(34-24)18-10-19(33-27-18)14(3)28-22(29)16-6-4-5-7-17(16)23(28)30/h4-14H,1-3H3
InChIKeyNGOLRXMMFLNCME-UHFFFAOYSA-N
XLogP5.13
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione (CID 69436822) is 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-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-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)N4C(=O)c5ccccc5C4=O)on3)s2)cn1.
What is the InChIKey of 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
The InChIKey is NGOLRXMMFLNCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S/c1-13(2)31-21-9-8-15(11-25-21)32-24-26-12-20(34-24)18-10-19(33-27-18)14(3)28-22(29)16-6-4-5-7-17(16)23(28)30/h4-14H,1-3H3.
What are the key properties of 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione has a molecular weight of 476.51 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69436822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).