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

C24H26FNO5 — CID 22273910

IUPAC2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCc2nc(-c3ccc(F)c(C)c3)oc2C)cc1C)C(=O)O
InChIInChI=1S/C24H26FNO5/c1-5-29-22(24(27)28)12-17-6-8-19(11-14(17)2)30-13-21-16(4)31-23(26-21)18-7-9-20(25)15(3)10-18/h6-11,22H,5,12-13H2,1-4H3,(H,27,28)
InChIKeyCWMCHIQKNCEDFP-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.02
Rot. Bonds9

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

2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid (PubChem CID 22273910) has the molecular formula C24H26FNO5 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
PubChem CID22273910
Molecular FormulaC24H26FNO5
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCc2nc(-c3ccc(F)c(C)c3)oc2C)cc1C)C(=O)O
InChIInChI=1S/C24H26FNO5/c1-5-29-22(24(27)28)12-17-6-8-19(11-14(17)2)30-13-21-16(4)31-23(26-21)18-7-9-20(25)15(3)10-18/h6-11,22H,5,12-13H2,1-4H3,(H,27,28)
InChIKeyCWMCHIQKNCEDFP-UHFFFAOYSA-N
XLogP5.02
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[2-chloro-4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 10253066
(2S)-2-ethoxy-3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10201568
(2S)-2-ethoxy-3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
CID 69280484
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
(2S)-3-[4-[[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-ethoxyphenyl]-2-ethoxypropanoic acid
CID 10005429
3-[2-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 22273894
methyl (2S)-2-ethoxy-3-[2-fluoro-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoate
CID 69279897
3-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2,6-dimethylphenyl]-2-ethoxypropanoic acid
CID 22273934
3-[4-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoic acid
CID 68616726
(2S)-2-ethoxy-3-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
CID 68617862
methyl 3-[2,6-dimethyl-4-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
CID 69280741
2-ethoxy-3-[4-[3-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]propoxy]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
CID 18003467

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid (CID 22273910) is 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid is CCOC(Cc1ccc(OCc2nc(-c3ccc(F)c(C)c3)oc2C)cc1C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid?
The InChIKey is CWMCHIQKNCEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO5/c1-5-29-22(24(27)28)12-17-6-8-19(11-14(17)2)30-13-21-16(4)31-23(26-21)18-7-9-20(25)15(3)10-18/h6-11,22H,5,12-13H2,1-4H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid?
2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid has a molecular weight of 427.47 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid is sourced from PubChem (CID 22273910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).