4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide

C22H24FN3O2 — CID 91959194

IUPAC4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H24FN3O2/c23-19-8-6-18(7-9-19)22(10-14-28-15-11-22)21(27)24-12-3-13-26-20-5-2-1-4-17(20)16-25-26/h1-2,4-9,16H,3,10-15H2,(H,24,27)
InChIKeyHYOGFBRVXJGHLO-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.43
Rot. Bonds6

About 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide

4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide (PubChem CID 91959194) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
PubChem CID91959194
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C22H24FN3O2/c23-19-8-6-18(7-9-19)22(10-14-28-15-11-22)21(27)24-12-3-13-26-20-5-2-1-4-17(20)16-25-26/h1-2,4-9,16H,3,10-15H2,(H,24,27)
InChIKeyHYOGFBRVXJGHLO-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide (CID 91959194) is 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide is O=C(NCCCn1ncc2ccccc21)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is HYOGFBRVXJGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-19-8-6-18(7-9-19)22(10-14-28-15-11-22)21(27)24-12-3-13-26-20-5-2-1-4-17(20)16-25-26/h1-2,4-9,16H,3,10-15H2,(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide?
4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-indazol-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 91959194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).