2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C19H24N4O2S — CID 17451568

About 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 17451568) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
• PubChem CID: 17451568
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.16
• IUPAC Name: 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
• SMILES: CC1(C)C2CCC1(C)C(NC(=O)CSc1nnc(-c3cccnc3)o1)C2
• InChI: InChI=1S/C19H24N4O2S/c1-18(2)13-6-7-19(18,3)14(9-13)21-15(24)11-26-17-23-22-16(25-17)12-5-4-8-20-10-12/h4-5,8,10,13-14H,6-7,9,11H2,1-3H3,(H,21,24)
• InChIKey: RODFAPBESPEXQA-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 17451568) is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

What is the SMILES notation for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The canonical SMILES for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)CSc1nnc(-c3cccnc3)o1)C2.

What is the InChIKey of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

The InChIKey is RODFAPBESPEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-18(2)13-6-7-19(18,3)14(9-13)21-15(24)11-26-17-23-22-16(25-17)12-5-4-8-20-10-12/h4-5,8,10,13-14H,6-7,9,11H2,1-3H3,(H,21,24).

What are the key properties of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?

2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 17451568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).