(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C19H15ClF3N3O2S — CID 40847519

About (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 40847519) has the molecular formula C19H15ClF3N3O2S and a molecular weight of 441.86 g/mol. Its IUPAC name is (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 40847519
• Molecular Formula: C19H15ClF3N3O2S
• Molecular Weight: 441.86 g/mol
• Exact Mass: 441.05
• IUPAC Name: (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
• SMILES: C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
• InChI: InChI=1S/C19H15ClF3N3O2S/c1-11(17(27)24-15-10-13(19(21,22)23)7-8-14(15)20)29-18-26-25-16(28-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,24,27)/t11-/m1/s1
• InChIKey: QJSCACXXVMASKN-LLVKDONJSA-N
• XLogP: 5.45
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.86
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 40847519) is (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.

What is the InChIKey of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?

The InChIKey is QJSCACXXVMASKN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2S/c1-11(17(27)24-15-10-13(19(21,22)23)7-8-14(15)20)29-18-26-25-16(28-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,24,27)/t11-/m1/s1.

What are the key properties of (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?

(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 441.86 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 40847519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).