2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide

C27H32FN5O5 — CID 87938548

About 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide

2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide (PubChem CID 87938548) has the molecular formula C27H32FN5O5 and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide.

Molecular Properties

• Compound Name: 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide
• PubChem CID: 87938548
• Molecular Formula: C27H32FN5O5
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.24
• IUPAC Name: 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3(C)CN(c4c(C(N)=O)ccc(CCN)c4CC=O)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C27H32FN5O5/c1-16(35)31-12-19-13-33(26(37)38-19)18-4-6-22(23(28)11-18)27(2)14-32(15-27)24-20(8-10-34)17(7-9-29)3-5-21(24)25(30)36/h3-6,10-11,19H,7-9,12-15,29H2,1-2H3,(H2,30,36)(H,31,35)/t19-/m0/s1
• InChIKey: SPJCRAFVKHTHEL-IBGZPJMESA-N
• XLogP: 1.41
• TPSA: 148.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide?

The IUPAC name of 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide (CID 87938548) is 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide.

What is the SMILES notation for 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide?

The canonical SMILES for 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide is CC(=O)NC[C@H]1CN(c2ccc(C3(C)CN(c4c(C(N)=O)ccc(CCN)c4CC=O)C3)c(F)c2)C(=O)O1.

What is the InChIKey of 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide?

The InChIKey is SPJCRAFVKHTHEL-IBGZPJMESA-N. The full InChI is InChI=1S/C27H32FN5O5/c1-16(35)31-12-19-13-33(26(37)38-19)18-4-6-22(23(28)11-18)27(2)14-32(15-27)24-20(8-10-34)17(7-9-29)3-5-21(24)25(30)36/h3-6,10-11,19H,7-9,12-15,29H2,1-2H3,(H2,30,36)(H,31,35)/t19-/m0/s1.

What are the key properties of 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide?

2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide has a molecular weight of 525.58 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-4-(2-aminoethyl)-3-(2-oxoethyl)benzamide is sourced from PubChem (CID 87938548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).