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

C27H32FN5O5 — CID 151548436

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

2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide (PubChem CID 151548436) has the molecular formula C27H32FN5O5 and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide.

Molecular Properties

• Compound Name: 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide
• PubChem CID: 151548436
• Molecular Formula: C27H32FN5O5
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.24
• IUPAC Name: 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(C3(C)CN(C(=O)Cc4cc(CCN)ccc4C(N)=O)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C27H32FN5O5/c1-16(34)31-12-20-13-33(26(37)38-20)19-4-6-22(23(28)11-19)27(2)14-32(15-27)24(35)10-18-9-17(7-8-29)3-5-21(18)25(30)36/h3-6,9,11,20H,7-8,10,12-15,29H2,1-2H3,(H2,30,36)(H,31,34)/t20-/m0/s1
• InChIKey: PZYIXWSMHMIMBD-FQEVSTJZSA-N
• XLogP: 1.23
• TPSA: 148.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide (CID 151548436) is 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide.

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

The canonical SMILES for 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide is CC(=O)NC[C@H]1CN(c2ccc(C3(C)CN(C(=O)Cc4cc(CCN)ccc4C(N)=O)C3)c(F)c2)C(=O)O1.

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

The InChIKey is PZYIXWSMHMIMBD-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H32FN5O5/c1-16(34)31-12-20-13-33(26(37)38-20)19-4-6-22(23(28)11-19)27(2)14-32(15-27)24(35)10-18-9-17(7-8-29)3-5-21(18)25(30)36/h3-6,9,11,20H,7-8,10,12-15,29H2,1-2H3,(H2,30,36)(H,31,34)/t20-/m0/s1.

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

2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide has a molecular weight of 525.58 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-methylazetidin-1-yl]-2-oxoethyl]-4-(2-aminoethyl)benzamide is sourced from PubChem (CID 151548436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).