4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate

C60H62F3N11O13 — CID 160930944

About 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate

4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate (PubChem CID 160930944) has the molecular formula C60H62F3N11O13 and a molecular weight of 1202.21 g/mol. Its IUPAC name is 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate
• PubChem CID: 160930944
• Molecular Formula: C60H62F3N11O13
• Molecular Weight: 1202.21 g/mol
• Exact Mass: 1201.45
• IUPAC Name: 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.NCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H27FN4O6.C19H19FN4O4.C17H16FN3O3/c1-24(2,3)35-22(32)28-12-20(30)27-11-17-13-29(23(33)34-17)16-8-9-18(19(25)10-16)14-4-6-15(7-5-14)21(26)31;20-16-7-13(24-10-14(28-19(24)27)9-23-17(25)8-21)5-6-15(16)11-1-3-12(4-2-11)18(22)26;18-15-7-12(21-9-13(8-19)24-17(21)23)5-6-14(15)10-1-3-11(4-2-10)16(20)22/h4-10,17H,11-13H2,1-3H3,(H2,26,31)(H,27,30)(H,28,32);1-7,14H,8-10,21H2,(H2,22,26)(H,23,25);1-7,13H,8-9,19H2,(H2,20,22)/t17-;14-;13-/m000/s1
• InChIKey: STGJZXKZDBRFAE-GRJIUWNGSA-N
• XLogP: 5.42
• TPSA: 366.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1202.21
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate?

The IUPAC name of 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate (CID 160930944) is 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate.

What is the SMILES notation for 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate?

The canonical SMILES for 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.NCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate?

The InChIKey is STGJZXKZDBRFAE-GRJIUWNGSA-N. The full InChI is InChI=1S/C24H27FN4O6.C19H19FN4O4.C17H16FN3O3/c1-24(2,3)35-22(32)28-12-20(30)27-11-17-13-29(23(33)34-17)16-8-9-18(19(25)10-16)14-4-6-15(7-5-14)21(26)31;20-16-7-13(24-10-14(28-19(24)27)9-23-17(25)8-21)5-6-15(16)11-1-3-12(4-2-11)18(22)26;18-15-7-12(21-9-13(8-19)24-17(21)23)5-6-14(15)10-1-3-11(4-2-10)16(20)22/h4-10,17H,11-13H2,1-3H3,(H2,26,31)(H,27,30)(H,28,32);1-7,14H,8-10,21H2,(H2,22,26)(H,23,25);1-7,13H,8-9,19H2,(H2,20,22)/t17-;14-;13-/m000/s1.

What are the key properties of 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate?

4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 1202.21 g/mol, XLogP of 5.42, 17 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(5S)-5-[[(2-aminoacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide;tert-butyl N-[2-[[(5S)-3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 160930944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).