2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

C18H20FN3O — CID 15176172

IUPAC2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(F)ccc21
InChIInChI=1S/C18H20FN3O/c1-21-9-15(14-8-13(19)2-3-16(14)21)17-20-10-18(23-17)11-22-6-4-12(18)5-7-22/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyDMENUFHFGZMOCB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.56
Rot. Bonds1

About 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 15176172) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID15176172
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(F)ccc21
InChIInChI=1S/C18H20FN3O/c1-21-9-15(14-8-13(19)2-3-16(14)21)17-20-10-18(23-17)11-22-6-4-12(18)5-7-22/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyDMENUFHFGZMOCB-UHFFFAOYSA-N
XLogP2.56
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 15176172) is 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(F)ccc21.
What is the InChIKey of 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is DMENUFHFGZMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-9-15(14-8-13(19)2-3-16(14)21)17-20-10-18(23-17)11-22-6-4-12(18)5-7-22/h2-3,8-9,12H,4-7,10-11H2,1H3.
What are the key properties of 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 313.38 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 15176172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).