1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine

C18H22N4O — CID 15176147

IUPAC1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(N)ccc21
InChIInChI=1S/C18H22N4O/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,4-7,10-11,19H2,1H3
InChIKeyGDYCXIQSDLUQBN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.00
Rot. Bonds1

About 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine

1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine (PubChem CID 15176147) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine.

Molecular Properties

Compound Name1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine
PubChem CID15176147
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(N)ccc21
InChIInChI=1S/C18H22N4O/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,4-7,10-11,19H2,1H3
InChIKeyGDYCXIQSDLUQBN-UHFFFAOYSA-N
XLogP2.00
TPSA55.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789983
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole];dihydrochloride
CID 14789979
2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789984
2'-[1-(cyclopropylmethyl)indol-3-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14815239
2'-(1-methyl-5-nitroindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176146
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176152
8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176157
2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine?
The IUPAC name of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine (CID 15176147) is 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine.
What is the SMILES notation for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine?
The canonical SMILES for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine is Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(N)ccc21.
What is the InChIKey of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine?
The InChIKey is GDYCXIQSDLUQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/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,4-7,10-11,19H2,1H3.
What are the key properties of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine?
1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine has a molecular weight of 310.40 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-amine is sourced from PubChem (CID 15176147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).