N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide

C26H30F2N8O6 — CID 70848457

About N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide

N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide (PubChem CID 70848457) has the molecular formula C26H30F2N8O6 and a molecular weight of 588.57 g/mol. Its IUPAC name is N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide
• PubChem CID: 70848457
• Molecular Formula: C26H30F2N8O6
• Molecular Weight: 588.57 g/mol
• Exact Mass: 588.23
• IUPAC Name: N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide
• SMILES: CCN(CCN1C[C@H](NC(=O)c2ccc(OC)o2)C(=O)N1C)c1c(F)cc(N2C[C@H](Cn3ccnn3)OC2=O)cc1F
• InChI: InChI=1S/C26H30F2N8O6/c1-4-33(9-10-35-15-20(25(38)32(35)2)30-24(37)21-5-6-22(40-3)42-21)23-18(27)11-16(12-19(23)28)36-14-17(41-26(36)39)13-34-8-7-29-31-34/h5-8,11-12,17,20H,4,9-10,13-15H2,1-3H3,(H,30,37)/t17-,20-/m0/s1
• InChIKey: GFLANASLCKPENW-PXNSSMCTSA-N
• XLogP: 1.50
• TPSA: 138.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.57
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide?

The IUPAC name of N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide (CID 70848457) is N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide.

What is the SMILES notation for N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide?

The canonical SMILES for N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide is CCN(CCN1C[C@H](NC(=O)c2ccc(OC)o2)C(=O)N1C)c1c(F)cc(N2C[C@H](Cn3ccnn3)OC2=O)cc1F.

What is the InChIKey of N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide?

The InChIKey is GFLANASLCKPENW-PXNSSMCTSA-N. The full InChI is InChI=1S/C26H30F2N8O6/c1-4-33(9-10-35-15-20(25(38)32(35)2)30-24(37)21-5-6-22(40-3)42-21)23-18(27)11-16(12-19(23)28)36-14-17(41-26(36)39)13-34-8-7-29-31-34/h5-8,11-12,17,20H,4,9-10,13-15H2,1-3H3,(H,30,37)/t17-,20-/m0/s1.

What are the key properties of N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide?

N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide has a molecular weight of 588.57 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-1-[2-[N-ethyl-2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]anilino]ethyl]-2-methyl-3-oxopyrazolidin-4-yl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 70848457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).