2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid

C15H15FN2O3 — CID 56739987

IUPAC2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
SMILESCC(C(=O)O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C15H15FN2O3/c1-9(15(19)20)18-7-6-13-11(8-18)14(17-21-13)10-4-2-3-5-12(10)16/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyYKNOIIIUCHMTKU-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.31
Rot. Bonds3

About 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid

2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid (PubChem CID 56739987) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
PubChem CID56739987
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
SMILESCC(C(=O)O)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C15H15FN2O3/c1-9(15(19)20)18-7-6-13-11(8-18)14(17-21-13)10-4-2-3-5-12(10)16/h2-5,9H,6-8H2,1H3,(H,19,20)
InChIKeyYKNOIIIUCHMTKU-UHFFFAOYSA-N
XLogP2.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid (CID 56739987) is 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid is CC(C(=O)O)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid?
The InChIKey is YKNOIIIUCHMTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(15(19)20)18-7-6-13-11(8-18)14(17-21-13)10-4-2-3-5-12(10)16/h2-5,9H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid?
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid has a molecular weight of 290.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 56739987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).