2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid

C19H17ClFN3O5 — CID 59495678

IUPAC2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid
SMILESCC(C)COc1ncc(-c2nc(-c3ccc(OCC(=O)O)c(F)c3)no2)cc1Cl
InChIInChI=1S/C19H17ClFN3O5/c1-10(2)8-28-19-13(20)5-12(7-22-19)18-23-17(24-29-18)11-3-4-15(14(21)6-11)27-9-16(25)26/h3-7,10H,8-9H2,1-2H3,(H,25,26)
InChIKeyZFAMKFAGHHRCBX-UHFFFAOYSA-N
MW421.81 g/mol
LogP4.09
Rot. Bonds8

About 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid

2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid (PubChem CID 59495678) has the molecular formula C19H17ClFN3O5 and a molecular weight of 421.81 g/mol. Its IUPAC name is 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid
PubChem CID59495678
Molecular FormulaC19H17ClFN3O5
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid
SMILESCC(C)COc1ncc(-c2nc(-c3ccc(OCC(=O)O)c(F)c3)no2)cc1Cl
InChIInChI=1S/C19H17ClFN3O5/c1-10(2)8-28-19-13(20)5-12(7-22-19)18-23-17(24-29-18)11-3-4-15(14(21)6-11)27-9-16(25)26/h3-7,10H,8-9H2,1-2H3,(H,25,26)
InChIKeyZFAMKFAGHHRCBX-UHFFFAOYSA-N
XLogP4.09
TPSA107.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid (CID 59495678) is 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid is CC(C)COc1ncc(-c2nc(-c3ccc(OCC(=O)O)c(F)c3)no2)cc1Cl.
What is the InChIKey of 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid?
The InChIKey is ZFAMKFAGHHRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O5/c1-10(2)8-28-19-13(20)5-12(7-22-19)18-23-17(24-29-18)11-3-4-15(14(21)6-11)27-9-16(25)26/h3-7,10H,8-9H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid?
2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid has a molecular weight of 421.81 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 59495678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).