2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione

C14H9N3O3 — CID 177333947

IUPAC2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2ccoc2n1
InChIInChI=1S/C14H9N3O3/c18-12-10-3-1-2-4-11(10)13(19)17(12)8-9-7-16-5-6-20-14(16)15-9/h1-7H,8H2
InChIKeyKOGUFCDQOQJPRH-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.72
Rot. Bonds2

About 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione

2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione (PubChem CID 177333947) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
PubChem CID177333947
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2ccoc2n1
InChIInChI=1S/C14H9N3O3/c18-12-10-3-1-2-4-11(10)13(19)17(12)8-9-7-16-5-6-20-14(16)15-9/h1-7H,8H2
InChIKeyKOGUFCDQOQJPRH-UHFFFAOYSA-N
XLogP1.72
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione (CID 177333947) is 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cn2ccoc2n1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione?
The InChIKey is KOGUFCDQOQJPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-12-10-3-1-2-4-11(10)13(19)17(12)8-9-7-16-5-6-20-14(16)15-9/h1-7H,8H2.
What are the key properties of 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione?
2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione has a molecular weight of 267.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 177333947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).