3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid

C19H14F3NO3 — CID 129017302

IUPAC3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cc(F)ccc3F)c2)o1
InChIInChI=1S/C19H14F3NO3/c1-10-9-23-19(26-10)16(8-18(24)25)12-4-11(5-14(21)6-12)15-7-13(20)2-3-17(15)22/h2-7,9,16H,8H2,1H3,(H,24,25)
InChIKeyRIJRPSIOVARAKM-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.67
Rot. Bonds5

About 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid

3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 129017302) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID129017302
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cc(F)ccc3F)c2)o1
InChIInChI=1S/C19H14F3NO3/c1-10-9-23-19(26-10)16(8-18(24)25)12-4-11(5-14(21)6-12)15-7-13(20)2-3-17(15)22/h2-7,9,16H,8H2,1H3,(H,24,25)
InChIKeyRIJRPSIOVARAKM-UHFFFAOYSA-N
XLogP4.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid (CID 129017302) is 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid is Cc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cc(F)ccc3F)c2)o1.
What is the InChIKey of 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is RIJRPSIOVARAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-10-9-23-19(26-10)16(8-18(24)25)12-4-11(5-14(21)6-12)15-7-13(20)2-3-17(15)22/h2-7,9,16H,8H2,1H3,(H,24,25).
What are the key properties of 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid?
3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 361.32 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-difluorophenyl)-5-fluorophenyl]-3-(5-methyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 129017302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).