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

C23H23FN4O4 — CID 155067309

IUPAC4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)cc4)no3)c2cc1F
InChIInChI=1S/C23H23FN4O4/c1-29-10-11-31-21-14-20-17(12-18(21)24)23(26-25-20)22-13-19(27-32-22)15-2-4-16(5-3-15)28-6-8-30-9-7-28/h2-5,12-14H,6-11H2,1H3,(H,25,26)
InChIKeyYUIPCUTWPCZLSL-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.89
Rot. Bonds7

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

4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine (PubChem CID 155067309) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
PubChem CID155067309
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)cc4)no3)c2cc1F
InChIInChI=1S/C23H23FN4O4/c1-29-10-11-31-21-14-20-17(12-18(21)24)23(26-25-20)22-13-19(27-32-22)15-2-4-16(5-3-15)28-6-8-30-9-7-28/h2-5,12-14H,6-11H2,1H3,(H,25,26)
InChIKeyYUIPCUTWPCZLSL-UHFFFAOYSA-N
XLogP3.89
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.89
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-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
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
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
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-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 154679620
[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]-N-(1-methylazetidin-3-yl)benzamide
CID 154679649
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methylsulfonylazetidin-1-yl)methanone
CID 154679488
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
5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazole
CID 154679859
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-piperazin-1-ylmethanone
CID 154679550
[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-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine (CID 155067309) is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCOCC5)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]morpholine?
The InChIKey is YUIPCUTWPCZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-29-10-11-31-21-14-20-17(12-18(21)24)23(26-25-20)22-13-19(27-32-22)15-2-4-16(5-3-15)28-6-8-30-9-7-28/h2-5,12-14H,6-11H2,1H3,(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]morpholine?
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholine has a molecular weight of 438.46 g/mol, XLogP of 3.89, 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]morpholine is sourced from PubChem (CID 155067309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).