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

C19H17FN2O4 — CID 129094455

IUPAC3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCOc1ccccc1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C19H17FN2O4/c1-11-21-22-19(26-11)16(10-18(23)24)13-7-12(8-14(20)9-13)15-5-3-4-6-17(15)25-2/h3-9,16H,10H2,1-2H3,(H,23,24)
InChIKeyOXOJINAXZRCARE-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.80
Rot. Bonds6

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

3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (PubChem CID 129094455) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
PubChem CID129094455
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
SMILESCOc1ccccc1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C19H17FN2O4/c1-11-21-22-19(26-11)16(10-18(23)24)13-7-12(8-14(20)9-13)15-5-3-4-6-17(15)25-2/h3-9,16H,10H2,1-2H3,(H,23,24)
InChIKeyOXOJINAXZRCARE-UHFFFAOYSA-N
XLogP3.80
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid (CID 129094455) is 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is COc1ccccc1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1.
What is the InChIKey of 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
The InChIKey is OXOJINAXZRCARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-11-21-22-19(26-11)16(10-18(23)24)13-7-12(8-14(20)9-13)15-5-3-4-6-17(15)25-2/h3-9,16H,10H2,1-2H3,(H,23,24).
What are the key properties of 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid?
3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid has a molecular weight of 356.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid is sourced from PubChem (CID 129094455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).