3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H14F2N4O4S — CID 42145322

About 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42145322) has the molecular formula C16H14F2N4O4S and a molecular weight of 396.38 g/mol. Its IUPAC name is 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 42145322
• Molecular Formula: C16H14F2N4O4S
• Molecular Weight: 396.38 g/mol
• Exact Mass: 396.07
• IUPAC Name: 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)CCSc2nnc(-c3ccc(OC(F)F)cc3)o2)no1
• InChI: InChI=1S/C16H14F2N4O4S/c1-9-8-12(22-26-9)19-13(23)6-7-27-16-21-20-14(25-16)10-2-4-11(5-3-10)24-15(17)18/h2-5,8,15H,6-7H2,1H3,(H,19,22,23)
• InChIKey: ULHJQIUWIMEVEO-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.38
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42145322) is 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSc2nnc(-c3ccc(OC(F)F)cc3)o2)no1.

What is the InChIKey of 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is ULHJQIUWIMEVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O4S/c1-9-8-12(22-26-9)19-13(23)6-7-27-16-21-20-14(25-16)10-2-4-11(5-3-10)24-15(17)18/h2-5,8,15H,6-7H2,1H3,(H,19,22,23).

What are the key properties of 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 396.38 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42145322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).