2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid

C21H22N2O5 — CID 11199906

IUPAC2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid
SMILESCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
InChIInChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)
InChIKeyCQPXKOPODPJAKY-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.31
Rot. Bonds9

About 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid

2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid (PubChem CID 11199906) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid
PubChem CID11199906
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid
SMILESCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O
InChIInChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25)
InChIKeyCQPXKOPODPJAKY-UHFFFAOYSA-N
XLogP3.31
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid?
The IUPAC name of 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid (CID 11199906) is 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid is COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid?
The InChIKey is CQPXKOPODPJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-14-17(23-20(28-14)16-6-4-3-5-7-16)10-11-27-19-9-8-15(13-22-19)12-18(26-2)21(24)25/h3-9,13,18H,10-12H2,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid?
2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid has a molecular weight of 382.42 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoic acid is sourced from PubChem (CID 11199906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).