5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one

C16H19ClN2O4 — CID 22844236

IUPAC5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(Cl)cc2)on1C[C@@H](O)CN1CCOCC1
InChIInChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)15-9-16(21)19(23-15)11-14(20)10-18-5-7-22-8-6-18/h1-4,9,14,20H,5-8,10-11H2/t14-/m0/s1
InChIKeyNUIWIWLOWBVKNW-AWEZNQCLSA-N
MW338.79 g/mol
LogP1.45
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one

5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one (PubChem CID 22844236) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one
PubChem CID22844236
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(Cl)cc2)on1C[C@@H](O)CN1CCOCC1
InChIInChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)15-9-16(21)19(23-15)11-14(20)10-18-5-7-22-8-6-18/h1-4,9,14,20H,5-8,10-11H2/t14-/m0/s1
InChIKeyNUIWIWLOWBVKNW-AWEZNQCLSA-N
XLogP1.45
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one (CID 22844236) is 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one is O=c1cc(-c2ccc(Cl)cc2)on1C[C@@H](O)CN1CCOCC1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one?
The InChIKey is NUIWIWLOWBVKNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c17-13-3-1-12(2-4-13)15-9-16(21)19(23-15)11-14(20)10-18-5-7-22-8-6-18/h1-4,9,14,20H,5-8,10-11H2/t14-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one?
5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one has a molecular weight of 338.79 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one is sourced from PubChem (CID 22844236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).