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

C21H20FNO4 — CID 129094503

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

3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 129094503) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

• Compound Name: 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
• PubChem CID: 129094503
• Molecular Formula: C21H20FNO4
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.14
• IUPAC Name: 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
• SMILES: COc1c(C)cccc1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)o2)c1
• InChI: InChI=1S/C21H20FNO4/c1-12-5-4-6-17(20(12)26-3)14-7-15(9-16(22)8-14)18(10-19(24)25)21-23-11-13(2)27-21/h4-9,11,18H,10H2,1-3H3,(H,24,25)
• InChIKey: GCTRMOWPSWGIIX-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?

The IUPAC name of 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid (CID 129094503) is 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid.

What is the SMILES notation for 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?

The canonical SMILES for 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid is COc1c(C)cccc1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)o2)c1.

What is the InChIKey of 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?

The InChIKey is GCTRMOWPSWGIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-12-5-4-6-17(20(12)26-3)14-7-15(9-16(22)8-14)18(10-19(24)25)21-23-11-13(2)27-21/h4-9,11,18H,10H2,1-3H3,(H,24,25).

What are the key properties of 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?

3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 369.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 129094503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).