N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

C19H23N3O2S — CID 18383352

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)n1
InChIInChI=1S/C19H23N3O2S/c1-12-11-24-19(20-12)25-16-5-3-15(4-6-16)18(23)21-17-13(2)22-9-7-14(17)8-10-22/h3-6,11,13-14,17H,7-10H2,1-2H3,(H,21,23)
InChIKeyBBIWGLXDCKOAHI-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.35
Rot. Bonds4

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 18383352) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID18383352
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)n1
InChIInChI=1S/C19H23N3O2S/c1-12-11-24-19(20-12)25-16-5-3-15(4-6-16)18(23)21-17-13(2)22-9-7-14(17)8-10-22/h3-6,11,13-14,17H,7-10H2,1-2H3,(H,21,23)
InChIKeyBBIWGLXDCKOAHI-UHFFFAOYSA-N
XLogP3.35
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 18383352) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)n1.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is BBIWGLXDCKOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-11-24-19(20-12)25-16-5-3-15(4-6-16)18(23)21-17-13(2)22-9-7-14(17)8-10-22/h3-6,11,13-14,17H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.35, 4 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)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 18383352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).