2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid

C26H23NO5 — CID 11502852

IUPAC2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)no2)cc1)C(=O)O
InChIInChI=1S/C26H23NO5/c1-26(2,25(28)29)31-22-14-12-21(13-15-22)30-17-23-16-24(27-32-23)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)
InChIKeyVHFQPCOQGAOUPB-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.83
Rot. Bonds8

About 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid

2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid (PubChem CID 11502852) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
PubChem CID11502852
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)no2)cc1)C(=O)O
InChIInChI=1S/C26H23NO5/c1-26(2,25(28)29)31-22-14-12-21(13-15-22)30-17-23-16-24(27-32-23)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)
InChIKeyVHFQPCOQGAOUPB-UHFFFAOYSA-N
XLogP5.83
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid (CID 11502852) is 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid is CC(C)(Oc1ccc(OCc2cc(-c3ccc(-c4ccccc4)cc3)no2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid?
The InChIKey is VHFQPCOQGAOUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-26(2,25(28)29)31-22-14-12-21(13-15-22)30-17-23-16-24(27-32-23)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29).
What are the key properties of 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid?
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid has a molecular weight of 429.47 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid is sourced from PubChem (CID 11502852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).