3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid

C20H19FN2O4 — CID 127046667

IUPAC3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1
InChIInChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-9-14(7-8-22-18)11-26-16-5-3-15(17(21)10-16)4-6-19(24)25/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,25)
InChIKeyNSACRYWZPSMHSV-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.09
Rot. Bonds7

About 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid

3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid (PubChem CID 127046667) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
PubChem CID127046667
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1
InChIInChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-9-14(7-8-22-18)11-26-16-5-3-15(17(21)10-16)4-6-19(24)25/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,25)
InChIKeyNSACRYWZPSMHSV-UHFFFAOYSA-N
XLogP4.09
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid (CID 127046667) is 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid is Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1.
What is the InChIKey of 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
The InChIKey is NSACRYWZPSMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-12-20(13(2)27-23-12)18-9-14(7-8-22-18)11-26-16-5-3-15(17(21)10-16)4-6-19(24)25/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid?
3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid has a molecular weight of 370.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 127046667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).