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

C25H24FN5O5 — CID 154679600

IUPAC4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCN(C)C(=O)C5)cc4)no3)c2cc1F
InChIInChI=1S/C25H24FN5O5/c1-30-7-8-31(14-23(30)32)25(33)16-5-3-15(4-6-16)19-12-22(36-29-19)24-17-11-18(26)21(35-10-9-34-2)13-20(17)27-28-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,27,28)
InChIKeyDYUDNJMSLJRFEX-UHFFFAOYSA-N
MW493.50 g/mol
LogP2.96
Rot. Bonds7

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

4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one (PubChem CID 154679600) has the molecular formula C25H24FN5O5 and a molecular weight of 493.50 g/mol. Its IUPAC name is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one
PubChem CID154679600
Molecular FormulaC25H24FN5O5
Molecular Weight493.50 g/mol
Exact Mass493.18
IUPAC Name4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCN(C)C(=O)C5)cc4)no3)c2cc1F
InChIInChI=1S/C25H24FN5O5/c1-30-7-8-31(14-23(30)32)25(33)16-5-3-15(4-6-16)19-12-22(36-29-19)24-17-11-18(26)21(35-10-9-34-2)13-20(17)27-28-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,27,28)
InChIKeyDYUDNJMSLJRFEX-UHFFFAOYSA-N
XLogP2.96
TPSA113.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 52.96
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]benzoyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one (CID 154679600) is 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCN(C)C(=O)C5)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]benzoyl]-1-methylpiperazin-2-one?
The InChIKey is DYUDNJMSLJRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5/c1-30-7-8-31(14-23(30)32)25(33)16-5-3-15(4-6-16)19-12-22(36-29-19)24-17-11-18(26)21(35-10-9-34-2)13-20(17)27-28-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one?
4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]-1-methylpiperazin-2-one has a molecular weight of 493.50 g/mol, XLogP of 2.96, 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]benzoyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 154679600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).