3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole

C20H19FN4O4 — CID 154679594

IUPAC3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
SMILESCCOc1ccc(-c2cc(-c3n[nH]c4cc(OCCOC)c(F)cc34)on2)cn1
InChIInChI=1S/C20H19FN4O4/c1-3-27-19-5-4-12(11-22-19)15-9-18(29-25-15)20-13-8-14(21)17(28-7-6-26-2)10-16(13)23-24-20/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,24)
InChIKeyKNPFAIIWWMBHDV-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.84
Rot. Bonds8

About 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole

3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole (PubChem CID 154679594) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
PubChem CID154679594
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
SMILESCCOc1ccc(-c2cc(-c3n[nH]c4cc(OCCOC)c(F)cc34)on2)cn1
InChIInChI=1S/C20H19FN4O4/c1-3-27-19-5-4-12(11-22-19)15-9-18(29-25-15)20-13-8-14(21)17(28-7-6-26-2)10-16(13)23-24-20/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,24)
InChIKeyKNPFAIIWWMBHDV-UHFFFAOYSA-N
XLogP3.84
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole (CID 154679594) is 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole is CCOc1ccc(-c2cc(-c3n[nH]c4cc(OCCOC)c(F)cc34)on2)cn1.
What is the InChIKey of 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole?
The InChIKey is KNPFAIIWWMBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-3-27-19-5-4-12(11-22-19)15-9-18(29-25-15)20-13-8-14(21)17(28-7-6-26-2)10-16(13)23-24-20/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,24).
What are the key properties of 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole?
3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole has a molecular weight of 398.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-3-pyridinyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 154679594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).