5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

C18H15BrN4O6S — CID 92898323

About 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide

5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (PubChem CID 92898323) has the molecular formula C18H15BrN4O6S and a molecular weight of 495.31 g/mol. Its IUPAC name is 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
• PubChem CID: 92898323
• Molecular Formula: C18H15BrN4O6S
• Molecular Weight: 495.31 g/mol
• Exact Mass: 493.99
• IUPAC Name: 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
• SMILES: CS(=O)(=O)c1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Br)o4)o3)CC2=O)cc1
• InChI: InChI=1S/C18H15BrN4O6S/c1-30(26,27)12-4-2-11(3-5-12)23-9-10(8-15(23)24)17-21-22-18(29-17)20-16(25)13-6-7-14(19)28-13/h2-7,10H,8-9H2,1H3,(H,20,22,25)/t10-/m0/s1
• InChIKey: OZWNDKIQGDSBJE-JTQLQIEISA-N
• XLogP: 2.60
• TPSA: 135.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.31
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide (CID 92898323) is 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is CS(=O)(=O)c1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Br)o4)o3)CC2=O)cc1.

What is the InChIKey of 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?

The InChIKey is OZWNDKIQGDSBJE-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15BrN4O6S/c1-30(26,27)12-4-2-11(3-5-12)23-9-10(8-15(23)24)17-21-22-18(29-17)20-16(25)13-6-7-14(19)28-13/h2-7,10H,8-9H2,1H3,(H,20,22,25)/t10-/m0/s1.

What are the key properties of 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide?

5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide has a molecular weight of 495.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[5-[(3S)-1-(4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 92898323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).