2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole

C19H15ClN4O3S — CID 8644330

About 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 8644330) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
• PubChem CID: 8644330
• Molecular Formula: C19H15ClN4O3S
• Molecular Weight: 414.87 g/mol
• Exact Mass: 414.06
• IUPAC Name: 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
• SMILES: COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccc(Cl)c4)o3)o2)cc1
• InChI: InChI=1S/C19H15ClN4O3S/c1-11(16-21-22-17(26-16)12-6-8-15(25-2)9-7-12)28-19-24-23-18(27-19)13-4-3-5-14(20)10-13/h3-11H,1-2H3/t11-/m1/s1
• InChIKey: WMVVCSMIAMPCDH-LLVKDONJSA-N
• XLogP: 5.30
• TPSA: 87.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.87
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole (CID 8644330) is 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole.

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

The canonical SMILES for 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccc(Cl)c4)o3)o2)cc1.

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

The InChIKey is WMVVCSMIAMPCDH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-11(16-21-22-17(26-16)12-6-8-15(25-2)9-7-12)28-19-24-23-18(27-19)13-4-3-5-14(20)10-13/h3-11H,1-2H3/t11-/m1/s1.

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

2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 414.87 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 8644330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).