N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

C15H18N4O5S — CID 7158763

About N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 7158763) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 7158763
• Molecular Formula: C15H18N4O5S
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.10
• IUPAC Name: N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
• SMILES: O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC[C@@H]1CCCO1
• InChI: InChI=1S/C15H18N4O5S/c20-12(16-7-10-3-1-5-22-10)9-25-15-19-18-13(24-15)8-17-14(21)11-4-2-6-23-11/h2,4,6,10H,1,3,5,7-9H2,(H,16,20)(H,17,21)/t10-/m0/s1
• InChIKey: WRRHPOWHQMQMCM-JTQLQIEISA-N
• XLogP: 0.98
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 7158763) is N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC[C@@H]1CCCO1.

What is the InChIKey of N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?

The InChIKey is WRRHPOWHQMQMCM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O5S/c20-12(16-7-10-3-1-5-22-10)9-25-15-19-18-13(24-15)8-17-14(21)11-4-2-6-23-11/h2,4,6,10H,1,3,5,7-9H2,(H,16,20)(H,17,21)/t10-/m0/s1.

What are the key properties of N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?

N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 7158763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).