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

C19H23N3O2 — CID 15176148

IUPAC2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCOc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2C
InChIInChI=1S/C19H23N3O2/c1-21-10-16(15-9-14(23-2)3-4-17(15)21)18-20-11-19(24-18)12-22-7-5-13(19)6-8-22/h3-4,9-10,13H,5-8,11-12H2,1-2H3
InChIKeyXBJQFOHLTDAODN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds2

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

2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 15176148) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID15176148
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCOc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2C
InChIInChI=1S/C19H23N3O2/c1-21-10-16(15-9-14(23-2)3-4-17(15)21)18-20-11-19(24-18)12-22-7-5-13(19)6-8-22/h3-4,9-10,13H,5-8,11-12H2,1-2H3
InChIKeyXBJQFOHLTDAODN-UHFFFAOYSA-N
XLogP2.43
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 15176148) is 2'-(5-methoxy-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-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is COc1ccc2c(c1)c(C1=NCC3(CN4CCC3CC4)O1)cn2C.
What is the InChIKey of 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is XBJQFOHLTDAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-10-16(15-9-14(23-2)3-4-17(15)21)18-20-11-19(24-18)12-22-7-5-13(19)6-8-22/h3-4,9-10,13H,5-8,11-12H2,1-2H3.
What are the key properties of 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 325.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(5-methoxy-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 15176148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).