4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

C19H23N3O3S — CID 18383598

IUPAC4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCOc1cc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)no1
InChIInChI=1S/C19H23N3O3S/c1-12-18(13-7-9-22(12)10-8-13)20-19(23)14-3-5-15(6-4-14)26-16-11-17(24-2)25-21-16/h3-6,11-13,18H,7-10H2,1-2H3,(H,20,23)
InChIKeyFONQWSNITAABQY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.05
Rot. Bonds5

About 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383598) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID18383598
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCOc1cc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)no1
InChIInChI=1S/C19H23N3O3S/c1-12-18(13-7-9-22(12)10-8-13)20-19(23)14-3-5-15(6-4-14)26-16-11-17(24-2)25-21-16/h3-6,11-13,18H,7-10H2,1-2H3,(H,20,23)
InChIKeyFONQWSNITAABQY-UHFFFAOYSA-N
XLogP3.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383598) is 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is COc1cc(Sc2ccc(C(=O)NC3C4CCN(CC4)C3C)cc2)no1.
What is the InChIKey of 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is FONQWSNITAABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-18(13-7-9-22(12)10-8-13)20-19(23)14-3-5-15(6-4-14)26-16-11-17(24-2)25-21-16/h3-6,11-13,18H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1,2-oxazol-3-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).