[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate

C22H15NO3 — CID 144750288

IUPAC[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2cc(-c3ccccc3)on2)cc1)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-22(18-9-5-2-6-10-18)25-19-13-11-16(12-14-19)20-15-21(26-23-20)17-7-3-1-4-8-17/h1-15H
InChIKeyGOGMUSQJTWEDMZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.23
Rot. Bonds4

About [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate

[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate (PubChem CID 144750288) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
PubChem CID144750288
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
SMILESO=C(Oc1ccc(-c2cc(-c3ccccc3)on2)cc1)c1ccccc1
InChIInChI=1S/C22H15NO3/c24-22(18-9-5-2-6-10-18)25-19-13-11-16(12-14-19)20-15-21(26-23-20)17-7-3-1-4-8-17/h1-15H
InChIKeyGOGMUSQJTWEDMZ-UHFFFAOYSA-N
XLogP5.23
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.23
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

4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
CID 58428394
tris(6-phenyl-3-pyridinyl) benzene-1,3,5-tricarboxylate
CID 126638838
5-phenyl-3-pyridin-4-yl-1,2-oxazole
CID 5112426
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
CID 1474661
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-(2,6-diphenylpyrimidine-4-carbonyl)oxyphenyl] 2,6-diphenylpyrimidine-4-carboxylate
CID 153305203
[4-[5-(4-propanoylphenyl)-1,2,4-oxadiazol-3-yl]phenyl] benzoate
CID 144750230
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 3061216
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981

Frequently Asked Questions

What is the IUPAC name of [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate?
The IUPAC name of [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate (CID 144750288) is [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate.
What is the SMILES notation for [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate?
The canonical SMILES for [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate is O=C(Oc1ccc(-c2cc(-c3ccccc3)on2)cc1)c1ccccc1.
What is the InChIKey of [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate?
The InChIKey is GOGMUSQJTWEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-22(18-9-5-2-6-10-18)25-19-13-11-16(12-14-19)20-15-21(26-23-20)17-7-3-1-4-8-17/h1-15H.
What are the key properties of [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate?
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate has a molecular weight of 341.37 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate is sourced from PubChem (CID 144750288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).