(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]

C15H23N3OS — CID 151262159

IUPAC(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
SMILESCC(C)c1csc(N2CO[C@]3(CN4CCC3CC4)C2)n1
InChIInChI=1S/C15H23N3OS/c1-11(2)13-7-20-14(16-13)18-9-15(19-10-18)8-17-5-3-12(15)4-6-17/h7,11-12H,3-6,8-10H2,1-2H3/t15-/m1/s1
InChIKeyNUOODNNPECZLHZ-OAHLLOKOSA-N
MW293.44 g/mol
LogP2.53
Rot. Bonds2

About (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]

(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] (PubChem CID 151262159) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane].

Molecular Properties

Compound Name(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
PubChem CID151262159
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
SMILESCC(C)c1csc(N2CO[C@]3(CN4CCC3CC4)C2)n1
InChIInChI=1S/C15H23N3OS/c1-11(2)13-7-20-14(16-13)18-9-15(19-10-18)8-17-5-3-12(15)4-6-17/h7,11-12H,3-6,8-10H2,1-2H3/t15-/m1/s1
InChIKeyNUOODNNPECZLHZ-OAHLLOKOSA-N
XLogP2.53
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The IUPAC name of (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] (CID 151262159) is (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane].
What is the SMILES notation for (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The canonical SMILES for (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] is CC(C)c1csc(N2CO[C@]3(CN4CCC3CC4)C2)n1.
What is the InChIKey of (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
The InChIKey is NUOODNNPECZLHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)13-7-20-14(16-13)18-9-15(19-10-18)8-17-5-3-12(15)4-6-17/h7,11-12H,3-6,8-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]?
(5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] has a molecular weight of 293.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane] is sourced from PubChem (CID 151262159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).