2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione

C16H10N2O4 — CID 11066302

IUPAC2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione
SMILESCc1ccc2oc(=O)n(N3C(=O)c4ccccc4C3=O)c2c1
InChIInChI=1S/C16H10N2O4/c1-9-6-7-13-12(8-9)17(16(21)22-13)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3
InChIKeyBGIUEAOTFVPXKV-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.84
Rot. Bonds1

About 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione

2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione (PubChem CID 11066302) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione
PubChem CID11066302
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione
SMILESCc1ccc2oc(=O)n(N3C(=O)c4ccccc4C3=O)c2c1
InChIInChI=1S/C16H10N2O4/c1-9-6-7-13-12(8-9)17(16(21)22-13)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3
InChIKeyBGIUEAOTFVPXKV-UHFFFAOYSA-N
XLogP1.84
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
3-(2-hydroxy-2-phenylethyl)-5-methyl-1,3-benzoxazol-2-one
CID 91356447
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 2145483
2-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 82344597
3-[(3-aminophenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 52941448
2-[2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]ethyl]isoindole-1,3-dione
CID 75478267
5-methyl-3-[2-(3-methylanilino)ethyl]-1,3-benzoxazol-2-one
CID 176909803
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135497959
3-[(2,5-dihydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 54588508

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione (CID 11066302) is 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione is Cc1ccc2oc(=O)n(N3C(=O)c4ccccc4C3=O)c2c1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione?
The InChIKey is BGIUEAOTFVPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c1-9-6-7-13-12(8-9)17(16(21)22-13)18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3.
What are the key properties of 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione?
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione has a molecular weight of 294.27 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 11066302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).