(5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C21H21ClFN3O3 — CID 24759013

About (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 24759013) has the molecular formula C21H21ClFN3O3 and a molecular weight of 417.87 g/mol. Its IUPAC name is (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
• PubChem CID: 24759013
• Molecular Formula: C21H21ClFN3O3
• Molecular Weight: 417.87 g/mol
• Exact Mass: 417.13
• IUPAC Name: (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](C/N=C/c2ccc(Cl)cc2)CN1c1ccc(N2CCOCC2)c(F)c1
• InChI: InChI=1S/C21H21ClFN3O3/c22-16-3-1-15(2-4-16)12-24-13-18-14-26(21(27)29-18)17-5-6-20(19(23)11-17)25-7-9-28-10-8-25/h1-6,11-12,18H,7-10,13-14H2/b24-12+/t18-/m0/s1
• InChIKey: OMPURGCNIGTEBA-AMAFCZHPSA-N
• XLogP: 3.76
• TPSA: 54.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.87
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 24759013) is (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](C/N=C/c2ccc(Cl)cc2)CN1c1ccc(N2CCOCC2)c(F)c1.

What is the InChIKey of (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?

The InChIKey is OMPURGCNIGTEBA-AMAFCZHPSA-N. The full InChI is InChI=1S/C21H21ClFN3O3/c22-16-3-1-15(2-4-16)12-24-13-18-14-26(21(27)29-18)17-5-6-20(19(23)11-17)25-7-9-28-10-8-25/h1-6,11-12,18H,7-10,13-14H2/b24-12+/t18-/m0/s1.

What are the key properties of (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?

(5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 417.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[(4-chlorophenyl)methylideneamino]methyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24759013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).