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

C19H15F2NO4 — CID 118533614

IUPAC3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1ccc(-c2cc(F)cc(C(CC(=O)O)c3ncco3)c2)c(F)c1
InChIInChI=1S/C19H15F2NO4/c1-25-14-2-3-15(17(21)9-14)11-6-12(8-13(20)7-11)16(10-18(23)24)19-22-4-5-26-19/h2-9,16H,10H2,1H3,(H,23,24)
InChIKeyWGGNWXJNHVFXSM-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.24
Rot. Bonds6

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

3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid (PubChem CID 118533614) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
PubChem CID118533614
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid
SMILESCOc1ccc(-c2cc(F)cc(C(CC(=O)O)c3ncco3)c2)c(F)c1
InChIInChI=1S/C19H15F2NO4/c1-25-14-2-3-15(17(21)9-14)11-6-12(8-13(20)7-11)16(10-18(23)24)19-22-4-5-26-19/h2-9,16H,10H2,1H3,(H,23,24)
InChIKeyWGGNWXJNHVFXSM-UHFFFAOYSA-N
XLogP4.24
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.24
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-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid (CID 118533614) is 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid is COc1ccc(-c2cc(F)cc(C(CC(=O)O)c3ncco3)c2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
The InChIKey is WGGNWXJNHVFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-25-14-2-3-15(17(21)9-14)11-6-12(8-13(20)7-11)16(10-18(23)24)19-22-4-5-26-19/h2-9,16H,10H2,1H3,(H,23,24).
What are the key properties of 3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid?
3-[3-fluoro-5-(2-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid has a molecular weight of 359.33 g/mol, XLogP of 4.24, 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-fluoro-4-methoxyphenyl)phenyl]-3-(1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 118533614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).