5-anilino-3-methyl-2,1-benzoxazole-4,7-dione

C14H10N2O3 — CID 15655184

IUPAC5-anilino-3-methyl-2,1-benzoxazole-4,7-dione
SMILESCc1onc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C14H10N2O3/c1-8-12-13(16-19-8)11(17)7-10(14(12)18)15-9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeySURJWHIEROKMMG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.36
Rot. Bonds2

About 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione

5-anilino-3-methyl-2,1-benzoxazole-4,7-dione (PubChem CID 15655184) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione.

Molecular Properties

Compound Name5-anilino-3-methyl-2,1-benzoxazole-4,7-dione
PubChem CID15655184
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name5-anilino-3-methyl-2,1-benzoxazole-4,7-dione
SMILESCc1onc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C14H10N2O3/c1-8-12-13(16-19-8)11(17)7-10(14(12)18)15-9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKeySURJWHIEROKMMG-UHFFFAOYSA-N
XLogP2.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione?
The IUPAC name of 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione (CID 15655184) is 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione.
What is the SMILES notation for 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione?
The canonical SMILES for 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione is Cc1onc2c1C(=O)C(Nc1ccccc1)=CC2=O.
What is the InChIKey of 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione?
The InChIKey is SURJWHIEROKMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-12-13(16-19-8)11(17)7-10(14(12)18)15-9-5-3-2-4-6-9/h2-7,15H,1H3.
What are the key properties of 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione?
5-anilino-3-methyl-2,1-benzoxazole-4,7-dione has a molecular weight of 254.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-methyl-2,1-benzoxazole-4,7-dione is sourced from PubChem (CID 15655184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).