5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H19BrN4O4S — CID 25115393

About 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25115393) has the molecular formula C22H19BrN4O4S and a molecular weight of 515.39 g/mol. Its IUPAC name is 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25115393
• Molecular Formula: C22H19BrN4O4S
• Molecular Weight: 515.39 g/mol
• Exact Mass: 514.03
• IUPAC Name: 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NC[C@H]1CN(c2ccc(N3CCN=C3c3ccco3)cc2)C(=O)O1)c1ccc(Br)s1
• InChI: InChI=1S/C22H19BrN4O4S/c23-19-8-7-18(32-19)21(28)25-12-16-13-27(22(29)31-16)15-5-3-14(4-6-15)26-10-9-24-20(26)17-2-1-11-30-17/h1-8,11,16H,9-10,12-13H2,(H,25,28)/t16-/m0/s1
• InChIKey: WFAWVQCATTVQAO-INIZCTEOSA-N
• XLogP: 4.13
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.39
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25115393) is 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCN=C3c3ccco3)cc2)C(=O)O1)c1ccc(Br)s1.

What is the InChIKey of 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is WFAWVQCATTVQAO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19BrN4O4S/c23-19-8-7-18(32-19)21(28)25-12-16-13-27(22(29)31-16)15-5-3-14(4-6-15)26-10-9-24-20(26)17-2-1-11-30-17/h1-8,11,16H,9-10,12-13H2,(H,25,28)/t16-/m0/s1.

What are the key properties of 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 515.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[[(5S)-3-[4-[2-(furan-2-yl)-4,5-dihydroimidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25115393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).