N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C15H11Cl2N3O3S — CID 3589077

About N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 3589077) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 3589077
• Molecular Formula: C15H11Cl2N3O3S
• Molecular Weight: 384.24 g/mol
• Exact Mass: 382.99
• IUPAC Name: N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C15H11Cl2N3O3S/c1-8(13(21)18-11-6-9(16)5-10(17)7-11)24-15-20-19-14(23-15)12-3-2-4-22-12/h2-8H,1H3,(H,18,21)
• InChIKey: QBYYIINLXCRZSB-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.24
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 3589077) is N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1.

What is the InChIKey of N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is QBYYIINLXCRZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c1-8(13(21)18-11-6-9(16)5-10(17)7-11)24-15-20-19-14(23-15)12-3-2-4-22-12/h2-8H,1H3,(H,18,21).

What are the key properties of N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 384.24 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 3589077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).