6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one

C15H12N2O5 — CID 54678229

IUPAC6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccc3[nH]c(=O)oc3c2)c1=O
InChIInChI=1S/C15H12N2O5/c1-7-5-11(19)13(8(2)18)14(20)17(7)9-3-4-10-12(6-9)22-15(21)16-10/h3-6,19H,1-2H3,(H,16,21)
InChIKeyKINWCBBMRSHSLC-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.49
Rot. Bonds2

About 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one

6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one (PubChem CID 54678229) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one
PubChem CID54678229
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccc3[nH]c(=O)oc3c2)c1=O
InChIInChI=1S/C15H12N2O5/c1-7-5-11(19)13(8(2)18)14(20)17(7)9-3-4-10-12(6-9)22-15(21)16-10/h3-6,19H,1-2H3,(H,16,21)
InChIKeyKINWCBBMRSHSLC-UHFFFAOYSA-N
XLogP1.49
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one (CID 54678229) is 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one is CC(=O)c1c(O)cc(C)n(-c2ccc3[nH]c(=O)oc3c2)c1=O.
What is the InChIKey of 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is KINWCBBMRSHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-7-5-11(19)13(8(2)18)14(20)17(7)9-3-4-10-12(6-9)22-15(21)16-10/h3-6,19H,1-2H3,(H,16,21).
What are the key properties of 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one?
6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 300.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 54678229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).