3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one

C15H11NO4 — CID 20965391

IUPAC3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
SMILESO=C(COc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-14(10-19-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeyXAUHUJCRXZSCNF-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.31
Rot. Bonds3

About 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one

3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one (PubChem CID 20965391) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
PubChem CID20965391
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one
SMILESO=C(COc1ccccc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C15H11NO4/c17-14(10-19-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2
InChIKeyXAUHUJCRXZSCNF-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-(2-sulfanylidene-1,3-benzoxazol-3-yl)ethanone
CID 56678613
benzyl 2-oxo-1,3-benzoxazole-3-carboxylate
CID 56688108
3-(5-fluoro-3-hydroxypentanoyl)-1,3-benzoxazol-2-one
CID 59907748
3-(3-phenylprop-2-enoyl)-1,3-benzoxazol-2-one
CID 54360408
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
3-[3-(4-propylphenyl)propanoyl]-1,3-benzoxazol-2-one
CID 149456763
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965388
3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
CID 20965381
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-[(2S,3R)-5-fluoro-3-hydroxy-2-methylpentanoyl]-1,3-benzoxazol-2-one
CID 101344654
N-[(E)-benzylideneamino]-2-oxo-N-phenyl-1,3-benzoxazole-3-carboxamide
CID 10737032
phenyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
CID 917552

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one (CID 20965391) is 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one is O=C(COc1ccccc1)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one?
The InChIKey is XAUHUJCRXZSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(10-19-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)20-15(16)18/h1-9H,10H2.
What are the key properties of 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one?
3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one has a molecular weight of 269.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyacetyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 20965391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).