2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid

C17H13NO4 — CID 10447200

IUPAC2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C17H13NO4/c19-14(20)11-18-15(12-7-3-1-4-8-12)16(22-17(18)21)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyANUZNUZVUXSPIF-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid

2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid (PubChem CID 10447200) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
PubChem CID10447200
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O
InChIInChI=1S/C17H13NO4/c19-14(20)11-18-15(12-7-3-1-4-8-12)16(22-17(18)21)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20)
InChIKeyANUZNUZVUXSPIF-UHFFFAOYSA-N
XLogP2.86
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid (CID 10447200) is 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid is O=C(O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O.
What is the InChIKey of 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid?
The InChIKey is ANUZNUZVUXSPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-14(20)11-18-15(12-7-3-1-4-8-12)16(22-17(18)21)13-9-5-2-6-10-13/h1-10H,11H2,(H,19,20).
What are the key properties of 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid?
2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid has a molecular weight of 295.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetic acid is sourced from PubChem (CID 10447200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).