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

C18H21N3O — CID 15176159

IUPAC2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCn1cc(C2=NCC3(CC4CCC(C3)N4)O2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-10-15(14-4-2-3-5-16(14)21)17-19-11-18(22-17)8-12-6-7-13(9-18)20-12/h2-5,10,12-13,20H,6-9,11H2,1H3
InChIKeyPDAFNQMUAMELER-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.61
Rot. Bonds1

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

2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 15176159) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
PubChem CID15176159
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCn1cc(C2=NCC3(CC4CCC(C3)N4)O2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-10-15(14-4-2-3-5-16(14)21)17-19-11-18(22-17)8-12-6-7-13(9-18)20-12/h2-5,10,12-13,20H,6-9,11H2,1H3
InChIKeyPDAFNQMUAMELER-UHFFFAOYSA-N
XLogP2.61
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Siramesine
CID 9829526
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789983
1-ethyl-3-{4-[2-(methylthio)ethyl]-4,5-dihydro-1,3-oxazol-2-yl}-1H-indole
CID 3424689
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10005023
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole];dihydrochloride
CID 14789979

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (CID 15176159) is 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is Cn1cc(C2=NCC3(CC4CCC(C3)N4)O2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is PDAFNQMUAMELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-10-15(14-4-2-3-5-16(14)21)17-19-11-18(22-17)8-12-6-7-13(9-18)20-12/h2-5,10,12-13,20H,6-9,11H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 295.39 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 15176159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).