8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]

C25H27N3O — CID 15176157

IUPAC8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCn1cc(C2=NCC3(CC4CCC(C3)N4Cc3ccccc3)O2)c2ccccc21
InChIInChI=1S/C25H27N3O/c1-27-16-22(21-9-5-6-10-23(21)27)24-26-17-25(29-24)13-19-11-12-20(14-25)28(19)15-18-7-3-2-4-8-18/h2-10,16,19-20H,11-15,17H2,1H3
InChIKeyQCMGTJDLCJMVNG-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.52
Rot. Bonds3

About 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]

8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 15176157) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
PubChem CID15176157
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCn1cc(C2=NCC3(CC4CCC(C3)N4Cc3ccccc3)O2)c2ccccc21
InChIInChI=1S/C25H27N3O/c1-27-16-22(21-9-5-6-10-23(21)27)24-26-17-25(29-24)13-19-11-12-20(14-25)28(19)15-18-7-3-2-4-8-18/h2-10,16,19-20H,11-15,17H2,1H3
InChIKeyQCMGTJDLCJMVNG-UHFFFAOYSA-N
XLogP4.52
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (CID 15176157) is 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is Cn1cc(C2=NCC3(CC4CCC(C3)N4Cc3ccccc3)O2)c2ccccc21.
What is the InChIKey of 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is QCMGTJDLCJMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-27-16-22(21-9-5-6-10-23(21)27)24-26-17-25(29-24)13-19-11-12-20(14-25)28(19)15-18-7-3-2-4-8-18/h2-10,16,19-20H,11-15,17H2,1H3.
What are the key properties of 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 385.51 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 15176157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).