(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one

C23H28FN3O4 — CID 90227685

IUPAC(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H](C)NC[C@@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C23H28FN3O4/c1-16(17-3-6-19(29-2)7-4-17)25-14-20-15-27(23(28)31-20)18-5-8-22(21(24)13-18)26-9-11-30-12-10-26/h3-8,13,16,20,25H,9-12,14-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyZIACZOFYERVHJE-OXJNMPFZSA-N
MW429.49 g/mol
LogP3.35
Rot. Bonds7

About (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one

(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 90227685) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
PubChem CID90227685
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@H](C)NC[C@@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C23H28FN3O4/c1-16(17-3-6-19(29-2)7-4-17)25-14-20-15-27(23(28)31-20)18-5-8-22(21(24)13-18)26-9-11-30-12-10-26/h3-8,13,16,20,25H,9-12,14-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyZIACZOFYERVHJE-OXJNMPFZSA-N
XLogP3.35
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
methyl 3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoate
CID 22943686
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 90213724
(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,3-oxazolidin-2-one
CID 71623676
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
sodium;bis(N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide);methanol;methanolate;sulfane;hydrate
CID 161348705
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 22014514
(5R)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 56968307
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 164664251

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one (CID 90227685) is (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one is COc1ccc([C@H](C)NC[C@@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1.
What is the InChIKey of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ZIACZOFYERVHJE-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-16(17-3-6-19(29-2)7-4-17)25-14-20-15-27(23(28)31-20)18-5-8-22(21(24)13-18)26-9-11-30-12-10-26/h3-8,13,16,20,25H,9-12,14-15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one?
(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 429.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90227685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).