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

C14H18N4O4S — CID 18091436

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

N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 18091436) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 18091436
• Molecular Formula: C14H18N4O4S
• Molecular Weight: 338.39 g/mol
• Exact Mass: 338.10
• IUPAC Name: N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccco2)o1)C(=O)NC(=O)NC(C)(C)C
• InChI: InChI=1S/C14H18N4O4S/c1-8(10(19)15-12(20)16-14(2,3)4)23-13-18-17-11(22-13)9-6-5-7-21-9/h5-8H,1-4H3,(H2,15,16,19,20)
• InChIKey: JJXKYSZAPLYMNN-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.39
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 18091436) is N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

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

The canonical SMILES for N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(-c2ccco2)o1)C(=O)NC(=O)NC(C)(C)C.

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

The InChIKey is JJXKYSZAPLYMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8(10(19)15-12(20)16-14(2,3)4)23-13-18-17-11(22-13)9-6-5-7-21-9/h5-8H,1-4H3,(H2,15,16,19,20).

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

N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 338.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18091436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).