N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

C33H32F6N6O10 — CID 159784421

About N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide

N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (PubChem CID 159784421) has the molecular formula C33H32F6N6O10 and a molecular weight of 786.64 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
• PubChem CID: 159784421
• Molecular Formula: C33H32F6N6O10
• Molecular Weight: 786.64 g/mol
• Exact Mass: 786.21
• IUPAC Name: N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
• SMILES: C=CC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1
• InChI: InChI=1S/C17H16F3N3O5.C16H16F3N3O5/c1-2-14(24)21-8-11-9-23(16(26)28-11)10-3-4-13(12(7-10)17(18,19)20)22-5-6-27-15(22)25;1-9(23)20-7-11-8-22(15(25)27-11)10-2-3-13(12(6-10)16(17,18)19)21-4-5-26-14(21)24/h2-4,7,11H,1,5-6,8-9H2,(H,21,24);2-3,6,11H,4-5,7-8H2,1H3,(H,20,23)/t2*11-/m00/s1
• InChIKey: NHTRVIWXQWSOAE-QHUNOZLZSA-N
• XLogP: 4.41
• TPSA: 176.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	786.64
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The IUPAC name of N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide (CID 159784421) is N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide.

What is the SMILES notation for N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The canonical SMILES for N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)c(C(F)(F)F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

The InChIKey is NHTRVIWXQWSOAE-QHUNOZLZSA-N. The full InChI is InChI=1S/C17H16F3N3O5.C16H16F3N3O5/c1-2-14(24)21-8-11-9-23(16(26)28-11)10-3-4-13(12(7-10)17(18,19)20)22-5-6-27-15(22)25;1-9(23)20-7-11-8-22(15(25)27-11)10-2-3-13(12(6-10)16(17,18)19)21-4-5-26-14(21)24/h2-4,7,11H,1,5-6,8-9H2,(H,21,24);2-3,6,11H,4-5,7-8H2,1H3,(H,20,23)/t2*11-/m00/s1.

What are the key properties of N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide?

N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide has a molecular weight of 786.64 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-2-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 159784421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).