4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one

C23H21FN4O5 — CID 154679442

IUPAC4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5=O)cc4)no3)c2cc1F
InChIInChI=1S/C23H21FN4O5/c1-30-8-9-32-20-12-19-16(10-17(20)24)23(26-25-19)21-11-18(27-33-21)14-2-4-15(5-3-14)28-6-7-31-13-22(28)29/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
InChIKeyNOJGLYMASZZSIV-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.41
Rot. Bonds7

About 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one

4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one (PubChem CID 154679442) has the molecular formula C23H21FN4O5 and a molecular weight of 452.44 g/mol. Its IUPAC name is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one
PubChem CID154679442
Molecular FormulaC23H21FN4O5
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5=O)cc4)no3)c2cc1F
InChIInChI=1S/C23H21FN4O5/c1-30-8-9-32-20-12-19-16(10-17(20)24)23(26-25-19)21-11-18(27-33-21)14-2-4-15(5-3-14)28-6-7-31-13-22(28)29/h2-5,10-12H,6-9,13H2,1H3,(H,25,26)
InChIKeyNOJGLYMASZZSIV-UHFFFAOYSA-N
XLogP3.41
TPSA102.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.41
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 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one (CID 154679442) is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5=O)cc4)no3)c2cc1F.
What is the InChIKey of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one?
The InChIKey is NOJGLYMASZZSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5/c1-30-8-9-32-20-12-19-16(10-17(20)24)23(26-25-19)21-11-18(27-33-21)14-2-4-15(5-3-14)28-6-7-31-13-22(28)29/h2-5,10-12H,6-9,13H2,1H3,(H,25,26).
What are the key properties of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one?
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one has a molecular weight of 452.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 154679442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).