(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol

C21H19ClN2O4 — CID 22872431

IUPAC(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc2oc(-c3ccon3)cc2c1)c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O4/c22-16-3-1-2-14(10-16)19(25)13-23-7-9-26-17-4-5-20-15(11-17)12-21(28-20)18-6-8-27-24-18/h1-6,8,10-12,19,23,25H,7,9,13H2/t19-/m0/s1
InChIKeyNPDDLHNYCSGLCK-IBGZPJMESA-N
MW398.85 g/mol
LogP4.44
Rot. Bonds8

About (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol (PubChem CID 22872431) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol
PubChem CID22872431
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc2oc(-c3ccon3)cc2c1)c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O4/c22-16-3-1-2-14(10-16)19(25)13-23-7-9-26-17-4-5-20-15(11-17)12-21(28-20)18-6-8-27-24-18/h1-6,8,10-12,19,23,25H,7,9,13H2/t19-/m0/s1
InChIKeyNPDDLHNYCSGLCK-IBGZPJMESA-N
XLogP4.44
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol with MolForge

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Related Compounds

methyl 5-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]-1-benzofuran-2-carboxylate
CID 139694909
(2S)-1-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-6-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 18660897
(2S)-1-[2-[[2-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 22872407
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetamide;hydrochloride
CID 67791193
(1R)-1-(3-chlorophenyl)-2-[2-[4-[(2R)-2-[[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]ethylamino]ethanol;hydrate
CID 44522810
(2S)-1-[2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 22872406
1-[2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]-3-phenoxypropan-2-ol
CID 19079737
4-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-2-propan-2-yloxybenzoic acid
CID 69103207
2-butoxy-4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]benzoic acid;hydrochloride
CID 69102577
3-chloro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51347133
4-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-2-(2-methylpropyl)benzoic acid;hydrochloride
CID 69102769
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol (CID 22872431) is (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol is O[C@@H](CNCCOc1ccc2oc(-c3ccon3)cc2c1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol?
The InChIKey is NPDDLHNYCSGLCK-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19ClN2O4/c22-16-3-1-2-14(10-16)19(25)13-23-7-9-26-17-4-5-20-15(11-17)12-21(28-20)18-6-8-27-24-18/h1-6,8,10-12,19,23,25H,7,9,13H2/t19-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol has a molecular weight of 398.85 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[2-[[2-(1,2-oxazol-3-yl)-1-benzofuran-5-yl]oxy]ethylamino]ethanol is sourced from PubChem (CID 22872431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).