N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide

C17H21N3O2S — CID 18181466

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
SMILESCc1coc(-c2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)n1
InChIInChI=1S/C17H21N3O2S/c1-10-9-22-17(18-10)14-4-3-13(23-14)16(21)19-15-11(2)20-7-5-12(15)6-8-20/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,19,21)
InChIKeyLXSJQUHCQGCFJD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.92
Rot. Bonds3

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide (PubChem CID 18181466) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
PubChem CID18181466
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
SMILESCc1coc(-c2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)n1
InChIInChI=1S/C17H21N3O2S/c1-10-9-22-17(18-10)14-4-3-13(23-14)16(21)19-15-11(2)20-7-5-12(15)6-8-20/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,19,21)
InChIKeyLXSJQUHCQGCFJD-UHFFFAOYSA-N
XLogP2.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
5-[(4-methoxy-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18182005
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 18180912
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
CID 18181393
5-[(2-methoxy-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180711
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18180759
5-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181259
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181229
5-(4-acetamidophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18180537
2-(2-aminophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-5-carboxamide
CID 18180793

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide (CID 18181466) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide is Cc1coc(-c2ccc(C(=O)NC3C4CCN(CC4)C3C)s2)n1.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide?
The InChIKey is LXSJQUHCQGCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-9-22-17(18-10)14-4-3-13(23-14)16(21)19-15-11(2)20-7-5-12(15)6-8-20/h3-4,9,11-12,15H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18181466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).