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

C21H20FNO4 — CID 67357271

IUPAC3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid
SMILESCc1cc(CCC(=O)O)cc(F)c1OCc1c(C)noc1-c1ccccc1
InChIInChI=1S/C21H20FNO4/c1-13-10-15(8-9-19(24)25)11-18(22)20(13)26-12-17-14(2)23-27-21(17)16-6-4-3-5-7-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyJRUMNESATOTSOV-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.69
Rot. Bonds7

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

3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 67357271) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid
PubChem CID67357271
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid
SMILESCc1cc(CCC(=O)O)cc(F)c1OCc1c(C)noc1-c1ccccc1
InChIInChI=1S/C21H20FNO4/c1-13-10-15(8-9-19(24)25)11-18(22)20(13)26-12-17-14(2)23-27-21(17)16-6-4-3-5-7-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyJRUMNESATOTSOV-UHFFFAOYSA-N
XLogP4.69
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid (CID 67357271) is 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid is Cc1cc(CCC(=O)O)cc(F)c1OCc1c(C)noc1-c1ccccc1.
What is the InChIKey of 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is JRUMNESATOTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-13-10-15(8-9-19(24)25)11-18(22)20(13)26-12-17-14(2)23-27-21(17)16-6-4-3-5-7-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,25).
What are the key properties of 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid?
3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 369.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-methyl-4-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 67357271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).