(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol

C21H24ClN3O3 — CID 87975517

IUPAC(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol
SMILESCC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3ccc(Cl)nc3)cc2)co1
InChIInChI=1S/C21H24ClN3O3/c1-14(2)21-25-18(13-28-21)15-3-6-17(7-4-15)27-10-9-23-12-19(26)16-5-8-20(22)24-11-16/h3-8,11,13-14,19,23,26H,9-10,12H2,1-2H3/t19-/m0/s1
InChIKeyNYURNSYGMIYIFM-IBGZPJMESA-N
MW401.89 g/mol
LogP4.22
Rot. Bonds9

About (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol

(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol (PubChem CID 87975517) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol
PubChem CID87975517
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol
SMILESCC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3ccc(Cl)nc3)cc2)co1
InChIInChI=1S/C21H24ClN3O3/c1-14(2)21-25-18(13-28-21)15-3-6-17(7-4-15)27-10-9-23-12-19(26)16-5-8-20(22)24-11-16/h3-8,11,13-14,19,23,26H,9-10,12H2,1-2H3/t19-/m0/s1
InChIKeyNYURNSYGMIYIFM-IBGZPJMESA-N
XLogP4.22
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N-di(propan-2-yl)acetamide
CID 22560774
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10300261
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 87975624
2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
CID 22560759
3-(hydroxymethyl)-3-(methylamino)-1-[4-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]phenyl]butane-1,4-diol
CID 144501943
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 10201549
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87976518
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 10114560
(1R)-1-pyridin-3-yl-2-[2-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10116979

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol (CID 87975517) is (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol is CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3ccc(Cl)nc3)cc2)co1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol?
The InChIKey is NYURNSYGMIYIFM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-14(2)21-25-18(13-28-21)15-3-6-17(7-4-15)27-10-9-23-12-19(26)16-5-8-20(22)24-11-16/h3-8,11,13-14,19,23,26H,9-10,12H2,1-2H3/t19-/m0/s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol?
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol has a molecular weight of 401.89 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol is sourced from PubChem (CID 87975517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).