3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide

C23H27N3O3S — CID 69279211

IUPAC3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(N3CC(C4CN5CCC4CC5)OC3=O)s2)c1
InChIInChI=1S/C23H27N3O3S/c1-24(2)22(27)17-5-3-4-16(12-17)20-6-7-21(30-20)26-14-19(29-23(26)28)18-13-25-10-8-15(18)9-11-25/h3-7,12,15,18-19H,8-11,13-14H2,1-2H3
InChIKeyICOBQEJQHPDVMI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.78
Rot. Bonds4

About 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide

3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide (PubChem CID 69279211) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide
PubChem CID69279211
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(N3CC(C4CN5CCC4CC5)OC3=O)s2)c1
InChIInChI=1S/C23H27N3O3S/c1-24(2)22(27)17-5-3-4-16(12-17)20-6-7-21(30-20)26-14-19(29-23(26)28)18-13-25-10-8-15(18)9-11-25/h3-7,12,15,18-19H,8-11,13-14H2,1-2H3
InChIKeyICOBQEJQHPDVMI-UHFFFAOYSA-N
XLogP3.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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-(pyrrolidine-1-carbonyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91238407
5-[3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenyl]-N-ethylthiophene-2-carboxamide
CID 126426560
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
(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
5-[3-(dimethylcarbamoyl)phenyl]-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 58867268
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69058139
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
(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
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168503934
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 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) is 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc(N3CC(C4CN5CCC4CC5)OC3=O)s2)c1.
What is the InChIKey of 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide?
The InChIKey is ICOBQEJQHPDVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-24(2)22(27)17-5-3-4-16(12-17)20-6-7-21(30-20)26-14-19(29-23(26)28)18-13-25-10-8-15(18)9-11-25/h3-7,12,15,18-19H,8-11,13-14H2,1-2H3.
What are the key properties of 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide?
3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide has a molecular weight of 425.55 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(1-azabicyclo[2.2.2]octan-3-yl)-2-oxo-1,3-oxazolidin-3-yl]thiophen-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 69279211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).