3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid

C19H15F2NO4 — CID 45380544

IUPAC3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ncoc2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2NO4/c20-14-8-12(6-7-17(23)24)9-15(21)19(14)25-10-16-18(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24)
InChIKeyQXBLNGCNWCLFFQ-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.22
Rot. Bonds7

About 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid

3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 45380544) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
PubChem CID45380544
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Name3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2ncoc2-c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2NO4/c20-14-8-12(6-7-17(23)24)9-15(21)19(14)25-10-16-18(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24)
InChIKeyQXBLNGCNWCLFFQ-UHFFFAOYSA-N
XLogP4.22
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid (CID 45380544) is 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid is O=C(O)CCc1cc(F)c(OCc2ncoc2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is QXBLNGCNWCLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c20-14-8-12(6-7-17(23)24)9-15(21)19(14)25-10-16-18(26-11-22-16)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,23,24).
What are the key properties of 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid?
3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 359.33 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-difluoro-4-[(5-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 45380544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).