(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

C24H27N3O3S — CID 91238407

IUPAC(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
SMILESO=C(c1cccc(-c2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)s2)c1)N1CCCC1
InChIInChI=1S/C24H27N3O3S/c28-22(26-10-1-2-11-26)18-5-3-4-17(14-18)20-6-7-21(31-20)27-16-24(30-23(27)29)15-25-12-8-19(24)9-13-25/h3-7,14,19H,1-2,8-13,15-16H2/t24-/m0/s1
InChIKeyNHRQQEXWNQIJTL-DEOSSOPVSA-N
MW437.57 g/mol
LogP4.07
Rot. Bonds3

About (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

(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 (PubChem CID 91238407) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID91238407
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(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
SMILESO=C(c1cccc(-c2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)s2)c1)N1CCCC1
InChIInChI=1S/C24H27N3O3S/c28-22(26-10-1-2-11-26)18-5-3-4-17(14-18)20-6-7-21(31-20)27-16-24(30-23(27)29)15-25-12-8-19(24)9-13-25/h3-7,14,19H,1-2,8-13,15-16H2/t24-/m0/s1
InChIKeyNHRQQEXWNQIJTL-DEOSSOPVSA-N
XLogP4.07
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

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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
(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
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
(5S)-3-thiophen-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91139368
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CID 68507690
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
(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-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide
CID 69279211
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(c1cccc(-c2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)s2)c1)N1CCCC1.
What is the InChIKey of (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?
The InChIKey is NHRQQEXWNQIJTL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-22(26-10-1-2-11-26)18-5-3-4-17(14-18)20-6-7-21(31-20)27-16-24(30-23(27)29)15-25-12-8-19(24)9-13-25/h3-7,14,19H,1-2,8-13,15-16H2/t24-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.57 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 91238407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).