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

C19H23N3O — CID 15176152

IUPAC8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CCC1CC1(CN=C(c3cn(C)c4ccccc34)O1)C2
InChIInChI=1S/C19H23N3O/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)9-13-7-8-14(10-19)22(13)2/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyXVKACSKLAHKHES-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.95
Rot. Bonds1

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

8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 15176152) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
PubChem CID15176152
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
SMILESCN1C2CCC1CC1(CN=C(c3cn(C)c4ccccc34)O1)C2
InChIInChI=1S/C19H23N3O/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)9-13-7-8-14(10-19)22(13)2/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyXVKACSKLAHKHES-UHFFFAOYSA-N
XLogP2.95
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] (CID 15176152) is 8'-methyl-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'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is CN1C2CCC1CC1(CN=C(c3cn(C)c4ccccc34)O1)C2.
What is the InChIKey of 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is XVKACSKLAHKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-11-16(15-5-3-4-6-17(15)21)18-20-12-19(23-18)9-13-7-8-14(10-19)22(13)2/h3-6,11,13-14H,7-10,12H2,1-2H3.
What are the key properties of 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]?
8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 309.41 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 15176152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).