N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C17H15ClN4O2S — CID 7879437

About N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7879437) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 7879437
• Molecular Formula: C17H15ClN4O2S
• Molecular Weight: 374.85 g/mol
• Exact Mass: 374.06
• IUPAC Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1cccc(Cl)c1
• InChI: InChI=1S/C17H15ClN4O2S/c1-11(12-4-2-6-14(18)8-12)20-15(23)10-25-17-22-21-16(24-17)13-5-3-7-19-9-13/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m1/s1
• InChIKey: LBHYSSXUOWICLZ-LLVKDONJSA-N
• XLogP: 3.75
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.85
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7879437) is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1cccc(Cl)c1.

What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is LBHYSSXUOWICLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-11(12-4-2-6-14(18)8-12)20-15(23)10-25-17-22-21-16(24-17)13-5-3-7-19-9-13/h2-9,11H,10H2,1H3,(H,20,23)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7879437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).