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

C18H12FN3O4 — CID 154679548

IUPAC4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)no3)c2cc1F
InChIInChI=1S/C18H12FN3O4/c1-25-15-8-14-11(6-12(15)19)17(21-20-14)16-7-13(22-26-16)9-2-4-10(5-3-9)18(23)24/h2-8H,1H3,(H,20,21)(H,23,24)
InChIKeyXPHOHRWAGWWYPN-UHFFFAOYSA-N
MW353.31 g/mol
LogP3.73
Rot. Bonds4

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

4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid (PubChem CID 154679548) has the molecular formula C18H12FN3O4 and a molecular weight of 353.31 g/mol. Its IUPAC name is 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid
PubChem CID154679548
Molecular FormulaC18H12FN3O4
Molecular Weight353.31 g/mol
Exact Mass353.08
IUPAC Name4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid
SMILESCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)no3)c2cc1F
InChIInChI=1S/C18H12FN3O4/c1-25-15-8-14-11(6-12(15)19)17(21-20-14)16-7-13(22-26-16)9-2-4-10(5-3-9)18(23)24/h2-8H,1H3,(H,20,21)(H,23,24)
InChIKeyXPHOHRWAGWWYPN-UHFFFAOYSA-N
XLogP3.73
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid (CID 154679548) is 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid is COc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)no3)c2cc1F.
What is the InChIKey of 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid?
The InChIKey is XPHOHRWAGWWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4/c1-25-15-8-14-11(6-12(15)19)17(21-20-14)16-7-13(22-26-16)9-2-4-10(5-3-9)18(23)24/h2-8H,1H3,(H,20,21)(H,23,24).
What are the key properties of 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid?
4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid has a molecular weight of 353.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]benzoic acid is sourced from PubChem (CID 154679548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).