3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C18H20N4O2S — CID 69060703

IUPAC3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESNc1cncc(-c2ccc(N3CC4(CN5CCC4CC5)OC3=O)s2)c1
InChIInChI=1S/C18H20N4O2S/c19-14-7-12(8-20-9-14)15-1-2-16(25-15)22-11-18(24-17(22)23)10-21-5-3-13(18)4-6-21/h1-2,7-9,13H,3-6,10-11,19H2
InChIKeyDPOWXCFCYTWPMD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.81
Rot. Bonds2

About 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 69060703) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID69060703
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESNc1cncc(-c2ccc(N3CC4(CN5CCC4CC5)OC3=O)s2)c1
InChIInChI=1S/C18H20N4O2S/c19-14-7-12(8-20-9-14)15-1-2-16(25-15)22-11-18(24-17(22)23)10-21-5-3-13(18)4-6-21/h1-2,7-9,13H,3-6,10-11,19H2
InChIKeyDPOWXCFCYTWPMD-UHFFFAOYSA-N
XLogP2.81
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(1,3-thiazol-5-yl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69056735
(5R)-3-[5-(furan-3-yl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11198302
(5R)-3-(5-pyrimidin-2-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11348449
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69058139
3-[5-(1,3-thiazol-4-yl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69056912
3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69058127
N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
CID 11611285
(5S)-3-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91244587
(5S)-3-[5-[3-(pyrrolidine-1-carbonyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91238407
(5S)-3-[5-[3-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91208503
(5R)-3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11325305
3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69053732

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 69060703) is 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is Nc1cncc(-c2ccc(N3CC4(CN5CCC4CC5)OC3=O)s2)c1.
What is the InChIKey of 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is DPOWXCFCYTWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c19-14-7-12(8-20-9-14)15-1-2-16(25-15)22-11-18(24-17(22)23)10-21-5-3-13(18)4-6-21/h1-2,7-9,13H,3-6,10-11,19H2.
What are the key properties of 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-amino-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 69060703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).