[(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

C25H24N6O10 — CID 57290235

About [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

[(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (PubChem CID 57290235) has the molecular formula C25H24N6O10 and a molecular weight of 568.50 g/mol. Its IUPAC name is [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
• PubChem CID: 57290235
• Molecular Formula: C25H24N6O10
• Molecular Weight: 568.50 g/mol
• Exact Mass: 568.16
• IUPAC Name: [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
• SMILES: O=C1CCC(C(=O)ON2OC[C@H](NC(=O)C(NC(=O)N3CCN(N=Cc4ccco4)C3=O)c3ccccc3)C2=O)O1
• InChI: InChI=1S/C25H24N6O10/c32-19-9-8-18(40-19)23(35)41-31-22(34)17(14-39-31)27-21(33)20(15-5-2-1-3-6-15)28-24(36)29-10-11-30(25(29)37)26-13-16-7-4-12-38-16/h1-7,12-13,17-18,20H,8-11,14H2,(H,27,33)(H,28,36)/t17-,18?,20?/m0/s1
• InChIKey: ARWUOUGNCBJBIN-ZJRDLVKKSA-N
• XLogP: 0.22
• TPSA: 189.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.50
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The IUPAC name of [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (CID 57290235) is [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.

What is the SMILES notation for [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The canonical SMILES for [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)ON2OC[C@H](NC(=O)C(NC(=O)N3CCN(N=Cc4ccco4)C3=O)c3ccccc3)C2=O)O1.

What is the InChIKey of [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

The InChIKey is ARWUOUGNCBJBIN-ZJRDLVKKSA-N. The full InChI is InChI=1S/C25H24N6O10/c32-19-9-8-18(40-19)23(35)41-31-22(34)17(14-39-31)27-21(33)20(15-5-2-1-3-6-15)28-24(36)29-10-11-30(25(29)37)26-13-16-7-4-12-38-16/h1-7,12-13,17-18,20H,8-11,14H2,(H,27,33)(H,28,36)/t17-,18?,20?/m0/s1.

What are the key properties of [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?

[(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate has a molecular weight of 568.50 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-[[2-[[3-(furan-2-ylmethylideneamino)-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is sourced from PubChem (CID 57290235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).