2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid

C21H15NO4 — CID 162674009

IUPAC2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C21H15NO4/c23-19(24)13-22-18-8-4-7-17(20(18)26-21(22)25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)
InChIKeyFHPHQPOGQLRBIF-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.01
Rot. Bonds4

About 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid

2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid (PubChem CID 162674009) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid
PubChem CID162674009
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C21H15NO4/c23-19(24)13-22-18-8-4-7-17(20(18)26-21(22)25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24)
InChIKeyFHPHQPOGQLRBIF-UHFFFAOYSA-N
XLogP4.01
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
ethyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
CID 2056744
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
N-methyl-2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70682775
2-[5-(3-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70689088
3-[2-(Methylphenylamino)-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]benzoxazole-2(3H)-one
CID 70693298
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
2-[5-(4-methoxyphenyl)-2-oxo-1,3-benzoxazol-3-yl]-N-methyl-N-phenylacetamide
CID 70695397
N-methyl-2-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-yl]-N-phenylacetamide
CID 70697418
N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 4142440
3-Phenethyl-3H-benzooxazol-2-one
CID 651817

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid?
The IUPAC name of 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid (CID 162674009) is 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2c(-c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid?
The InChIKey is FHPHQPOGQLRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-19(24)13-22-18-8-4-7-17(20(18)26-21(22)25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid?
2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-7-(4-phenylphenyl)-1,3-benzoxazol-3-yl]acetic acid is sourced from PubChem (CID 162674009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).