(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide

C22H22N4O2S — CID 7562766

About (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide

(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide (PubChem CID 7562766) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
• PubChem CID: 7562766
• Molecular Formula: C22H22N4O2S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.15
• IUPAC Name: (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
• SMILES: C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1cccc(C#N)c1
• InChI: InChI=1S/C22H22N4O2S/c1-14(19(27)24-18-7-5-6-15(12-18)13-23)29-21-26-25-20(28-21)16-8-10-17(11-9-16)22(2,3)4/h5-12,14H,1-4H3,(H,24,27)/t14-/m1/s1
• InChIKey: FKLZTKYFCUXYNL-CQSZACIVSA-N
• XLogP: 5.03
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide?

The IUPAC name of (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide (CID 7562766) is (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide.

What is the SMILES notation for (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide?

The canonical SMILES for (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide is C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1cccc(C#N)c1.

What is the InChIKey of (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide?

The InChIKey is FKLZTKYFCUXYNL-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14(19(27)24-18-7-5-6-15(12-18)13-23)29-21-26-25-20(28-21)16-8-10-17(11-9-16)22(2,3)4/h5-12,14H,1-4H3,(H,24,27)/t14-/m1/s1.

What are the key properties of (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide?

(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 7562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).