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

C20H17FN4O4 — CID 162366951

IUPAC4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(N)=O)cc4)no3)c2cc1F
InChIInChI=1S/C20H17FN4O4/c1-27-6-7-28-17-10-16-13(8-14(17)21)19(24-23-16)18-9-15(25-29-18)11-2-4-12(5-3-11)20(22)26/h2-5,8-10H,6-7H2,1H3,(H2,22,26)(H,23,24)
InChIKeyWRTQUQWWMSPNIF-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.15
Rot. Bonds7

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

4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide (PubChem CID 162366951) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide
PubChem CID162366951
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(N)=O)cc4)no3)c2cc1F
InChIInChI=1S/C20H17FN4O4/c1-27-6-7-28-17-10-16-13(8-14(17)21)19(24-23-16)18-9-15(25-29-18)11-2-4-12(5-3-11)20(22)26/h2-5,8-10H,6-7H2,1H3,(H2,22,26)(H,23,24)
InChIKeyWRTQUQWWMSPNIF-UHFFFAOYSA-N
XLogP3.15
TPSA116.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1,2-oxazole-3-carboxamide
CID 134153448
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 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide (CID 162366951) is 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(N)=O)cc4)no3)c2cc1F.
What is the InChIKey of 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is WRTQUQWWMSPNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-27-6-7-28-17-10-16-13(8-14(17)21)19(24-23-16)18-9-15(25-29-18)11-2-4-12(5-3-11)20(22)26/h2-5,8-10H,6-7H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide?
4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 396.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 162366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).