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

C18H21N3O2S — CID 18383552

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C18H21N3O2S/c1-12-11-23-18(19-12)24-15-4-2-14(3-5-15)17(22)20-16-10-21-8-6-13(16)7-9-21/h2-5,11,13,16H,6-10H2,1H3,(H,20,22)
InChIKeyIADIMUNQZMLHPE-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.96
Rot. Bonds4

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (PubChem CID 18383552) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
PubChem CID18383552
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
SMILESCc1coc(Sc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C18H21N3O2S/c1-12-11-23-18(19-12)24-15-4-2-14(3-5-15)17(22)20-16-10-21-8-6-13(16)7-9-21/h2-5,11,13,16H,6-10H2,1H3,(H,20,22)
InChIKeyIADIMUNQZMLHPE-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide (CID 18383552) is N-(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-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is Cc1coc(Sc2ccc(C(=O)NC3CN4CCC3CC4)cc2)n1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
The InChIKey is IADIMUNQZMLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-11-23-18(19-12)24-15-4-2-14(3-5-15)17(22)20-16-10-21-8-6-13(16)7-9-21/h2-5,11,13,16H,6-10H2,1H3,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 18383552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).