2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid

C22H24N2O5 — CID 11463604

IUPAC2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid
SMILESCOC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O
InChIInChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
InChIKeyHLEQAMRJYWQJCX-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.70
Rot. Bonds9

About 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid

2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid (PubChem CID 11463604) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid
PubChem CID11463604
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid
SMILESCOC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O
InChIInChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
InChIKeyHLEQAMRJYWQJCX-UHFFFAOYSA-N
XLogP3.70
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid (CID 11463604) is 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid is COC(C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O.
What is the InChIKey of 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid?
The InChIKey is HLEQAMRJYWQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26).
What are the key properties of 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid?
2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid has a molecular weight of 396.44 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 11463604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).