(2-phenyl-1,3-benzoxazol-6-yl) acetate

C15H11NO3 — CID 15662262

IUPAC(2-phenyl-1,3-benzoxazol-6-yl) acetate
SMILESCC(=O)Oc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C15H11NO3/c1-10(17)18-12-7-8-13-14(9-12)19-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyKWJGTKBAFWVGEQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.42
Rot. Bonds2

About (2-phenyl-1,3-benzoxazol-6-yl) acetate

(2-phenyl-1,3-benzoxazol-6-yl) acetate (PubChem CID 15662262) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2-phenyl-1,3-benzoxazol-6-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-benzoxazol-6-yl) acetate
PubChem CID15662262
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(2-phenyl-1,3-benzoxazol-6-yl) acetate
SMILESCC(=O)Oc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C15H11NO3/c1-10(17)18-12-7-8-13-14(9-12)19-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyKWJGTKBAFWVGEQ-UHFFFAOYSA-N
XLogP3.42
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-1,3-benzoxazol-6-yl) pentanoate
CID 110494543
(2-phenyl-1,3-benzoxazol-6-yl) 2-(4-fluorophenyl)acetate
CID 110494576
(2-phenyl-1,3-benzoxazol-6-yl) 3-(4-methylphenyl)propanoate
CID 110494619
(2-phenyl-1,3-benzoxazol-6-yl) 2,5-difluorobenzoate
CID 110494685
[4-[6-[3-(trifluoromethyl)phenoxy]-1,3-benzoxazol-2-yl]phenyl] acetate
CID 142715984
(2-naphthalen-2-yl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 9321741
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-benzoxazol-2-yl]phenyl] acetate
CID 142715991
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
CID 142481869
(2-phenyl-1,3-benzoxazol-6-yl) 3,4-dimethylbenzenesulfonate
CID 110504445
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-benzoxazol-6-yl) acetate?
The IUPAC name of (2-phenyl-1,3-benzoxazol-6-yl) acetate (CID 15662262) is (2-phenyl-1,3-benzoxazol-6-yl) acetate.
What is the SMILES notation for (2-phenyl-1,3-benzoxazol-6-yl) acetate?
The canonical SMILES for (2-phenyl-1,3-benzoxazol-6-yl) acetate is CC(=O)Oc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of (2-phenyl-1,3-benzoxazol-6-yl) acetate?
The InChIKey is KWJGTKBAFWVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10(17)18-12-7-8-13-14(9-12)19-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of (2-phenyl-1,3-benzoxazol-6-yl) acetate?
(2-phenyl-1,3-benzoxazol-6-yl) acetate has a molecular weight of 253.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-benzoxazol-6-yl) acetate is sourced from PubChem (CID 15662262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).