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

C20H18FNO4 — CID 121225086

IUPAC3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1ccc(C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
InChIInChI=1S/C20H18FNO4/c1-12-3-4-18(25-2)16(7-12)13-8-14(10-15(21)9-13)17(11-19(23)24)20-22-5-6-26-20/h3-10,17H,11H2,1-2H3,(H,23,24)
InChIKeyILTDDEYZRIXKAD-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.40
Rot. Bonds6

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

3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid (PubChem CID 121225086) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
PubChem CID121225086
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1ccc(C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
InChIInChI=1S/C20H18FNO4/c1-12-3-4-18(25-2)16(7-12)13-8-14(10-15(21)9-13)17(11-19(23)24)20-22-5-6-26-20/h3-10,17H,11H2,1-2H3,(H,23,24)
InChIKeyILTDDEYZRIXKAD-UHFFFAOYSA-N
XLogP4.40
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
CID 118533614
3-[3-(2-chloro-6-methoxyphenyl)-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid
CID 121225088
3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094455
3-[3-[3-(2-amino-2-oxoethyl)phenyl]-5-fluorophenyl]-3-(1,3-oxazol-2-yl)propanoic acid
CID 129017305
3-[3-fluoro-5-(2-methoxy-3-methylphenyl)phenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
CID 129094503
3-[3-fluoro-5-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094496
3-[3-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225016
3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
CID 129017302
3-[3-chloro-5-(5-fluoro-2-methoxyphenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 121225063
3-[5-(2-methoxy-5-propan-2-ylphenyl)-3-pyridinyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225156
3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid
CID 68685627
3-[4-[(2-butoxy-5-methylphenyl)-phenylmethoxy]phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
CID 69167721

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid (CID 121225086) is 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid is COc1ccc(C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1.
What is the InChIKey of 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The InChIKey is ILTDDEYZRIXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-12-3-4-18(25-2)16(7-12)13-8-14(10-15(21)9-13)17(11-19(23)24)20-22-5-6-26-20/h3-10,17H,11H2,1-2H3,(H,23,24).
What are the key properties of 3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
3-[3-fluoro-5-(2-methoxy-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid has a molecular weight of 355.37 g/mol, XLogP of 4.40, 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-5-methylphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 121225086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).