4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid

C19H14FN3O5 — CID 154679448

IUPAC4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3n[nH]c4cc(OCCO)c(F)cc34)on2)cc1
InChIInChI=1S/C19H14FN3O5/c20-13-7-12-15(9-16(13)27-6-5-24)21-22-18(12)17-8-14(23-28-17)10-1-3-11(4-2-10)19(25)26/h1-4,7-9,24H,5-6H2,(H,21,22)(H,25,26)
InChIKeyPAHQXIKJUFEAME-UHFFFAOYSA-N
MW383.34 g/mol
LogP3.09
Rot. Bonds6

About 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid

4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid (PubChem CID 154679448) has the molecular formula C19H14FN3O5 and a molecular weight of 383.34 g/mol. Its IUPAC name is 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid
PubChem CID154679448
Molecular FormulaC19H14FN3O5
Molecular Weight383.34 g/mol
Exact Mass383.09
IUPAC Name4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3n[nH]c4cc(OCCO)c(F)cc34)on2)cc1
InChIInChI=1S/C19H14FN3O5/c20-13-7-12-15(9-16(13)27-6-5-24)21-22-18(12)17-8-14(23-28-17)10-1-3-11(4-2-10)19(25)26/h1-4,7-9,24H,5-6H2,(H,21,22)(H,25,26)
InChIKeyPAHQXIKJUFEAME-UHFFFAOYSA-N
XLogP3.09
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid (CID 154679448) is 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3n[nH]c4cc(OCCO)c(F)cc34)on2)cc1.
What is the InChIKey of 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid?
The InChIKey is PAHQXIKJUFEAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5/c20-13-7-12-15(9-16(13)27-6-5-24)21-22-18(12)17-8-14(23-28-17)10-1-3-11(4-2-10)19(25)26/h1-4,7-9,24H,5-6H2,(H,21,22)(H,25,26).
What are the key properties of 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid?
4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 383.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 154679448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).