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

C24H23FN4O5 — CID 154679620

IUPAC[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29/h2-5,12-14H,6-11H2,1H3,(H,26,27)
InChIKeyLSYFKJVLVMOGCM-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.52
Rot. Bonds7

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

[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 154679620) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID154679620
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F
InChIInChI=1S/C24H23FN4O5/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29/h2-5,12-14H,6-11H2,1H3,(H,26,27)
InChIKeyLSYFKJVLVMOGCM-UHFFFAOYSA-N
XLogP3.52
TPSA102.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.52
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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Related Compounds

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 154679631
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methylsulfonylazetidin-1-yl)methanone
CID 154679488
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
CID 155067309
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
4-[1-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-3-yl]morpholine
CID 154679788
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 154679550
1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-2,3,3a,4,5,6a-hexahydropyrrolo[2,3-c]pyrrol-6-one
CID 155059398
4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide
CID 154679649
[(2S)-2,4-dimethylpiperazin-1-yl]-[4-[3-[5-isocyano-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]methanone
CID 164745507
3-[4-[(3aS,6aS)-1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole
CID 154679523
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-[4-(oxetan-3-yl)-1,4-diazepan-1-yl]phenyl]-1,2-oxazole
CID 155067519
[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 155067285

Frequently Asked Questions

What is the IUPAC name of [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 154679620) is [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F.
What is the InChIKey of [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LSYFKJVLVMOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29/h2-5,12-14H,6-11H2,1H3,(H,26,27).
What are the key properties of [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 466.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 154679620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).