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

C21H18FN3O4 — CID 165068624

IUPAC1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(C)=O)cc4)no3)c2cc1F
InChIInChI=1S/C21H18FN3O4/c1-12(26)13-3-5-14(6-4-13)17-10-20(29-25-17)21-15-9-16(22)19(28-8-7-27-2)11-18(15)23-24-21/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeySJNWDHRCRBWNNH-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.25
Rot. Bonds7

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

1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone (PubChem CID 165068624) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone
PubChem CID165068624
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(C)=O)cc4)no3)c2cc1F
InChIInChI=1S/C21H18FN3O4/c1-12(26)13-3-5-14(6-4-13)17-10-20(29-25-17)21-15-9-16(22)19(28-8-7-27-2)11-18(15)23-24-21/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeySJNWDHRCRBWNNH-UHFFFAOYSA-N
XLogP4.25
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-(4-methoxyphenyl)isoxazol-3-yl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 45497894
6-(2-fluorophenoxy)-3-(furan-3-yl)-1H-indazole
CID 11162194
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)azetidin-1-yl]methanone
CID 154679430
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679435
3-[4-[(3aR,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 154679437
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 154679438
[4-[5-(5-fluoro-6-methoxy-1H-indazol-3-yl)-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679439
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-methoxyazetidin-1-yl)methanone
CID 154679440
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]morpholin-3-one
CID 154679442
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 154679443
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 154679445
4-[5-[5-fluoro-6-(2-hydroxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoic acid
CID 154679448

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone (CID 165068624) is 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(C)=O)cc4)no3)c2cc1F.
What is the InChIKey of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone?
The InChIKey is SJNWDHRCRBWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-12(26)13-3-5-14(6-4-13)17-10-20(29-25-17)21-15-9-16(22)19(28-8-7-27-2)11-18(15)23-24-21/h3-6,9-11H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone?
1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone has a molecular weight of 395.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]ethanone is sourced from PubChem (CID 165068624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).