(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C23H26N4O4S — CID 11648170

IUPAC(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C(c1cccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)n1)N1CCOCC1
InChIInChI=1S/C23H26N4O4S/c28-21(26-10-12-30-13-11-26)18-3-1-2-17(24-18)19-4-5-20(32-19)27-15-23(31-22(27)29)14-25-8-6-16(23)7-9-25/h1-5,16H,6-15H2/t23-/m1/s1
InChIKeyCXQKXBAVZNUBOU-HSZRJFAPSA-N
MW454.55 g/mol
LogP2.70
Rot. Bonds3

About (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11648170) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11648170
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C(c1cccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)n1)N1CCOCC1
InChIInChI=1S/C23H26N4O4S/c28-21(26-10-12-30-13-11-26)18-3-1-2-17(24-18)19-4-5-20(32-19)27-15-23(31-22(27)29)14-25-8-6-16(23)7-9-25/h1-5,16H,6-15H2/t23-/m1/s1
InChIKeyCXQKXBAVZNUBOU-HSZRJFAPSA-N
XLogP2.70
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one with MolForge

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Related Compounds

(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-pyrimidin-2-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11348449
(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
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
(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
3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69058127
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
(5S)-3-thiophen-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91139368
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69053764
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
(5R)-3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11325305

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11648170) is (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C(c1cccc(-c2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)s2)n1)N1CCOCC1.
What is the InChIKey of (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is CXQKXBAVZNUBOU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-21(26-10-12-30-13-11-26)18-3-1-2-17(24-18)19-4-5-20(32-19)27-15-23(31-22(27)29)14-25-8-6-16(23)7-9-25/h1-5,16H,6-15H2/t23-/m1/s1.
What are the key properties of (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 454.55 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-[6-(morpholine-4-carbonyl)-2-pyridinyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11648170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).