(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol

C18H19N3O3 — CID 10193354

IUPAC(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(15-2-1-7-19-12-15)13-20-8-10-23-16-5-3-14(4-6-16)18-21-9-11-24-18/h1-7,9,11-12,17,20,22H,8,10,13H2/t17-/m0/s1
InChIKeyMAGKIDSRENBJSX-KRWDZBQOSA-N
MW325.37 g/mol
LogP2.44
Rot. Bonds8

About (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol

(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10193354) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10193354
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(15-2-1-7-19-12-15)13-20-8-10-23-16-5-3-14(4-6-16)18-21-9-11-24-18/h1-7,9,11-12,17,20,22H,8,10,13H2/t17-/m0/s1
InChIKeyMAGKIDSRENBJSX-KRWDZBQOSA-N
XLogP2.44
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10193354) is (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is O[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1.
What is the InChIKey of (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is MAGKIDSRENBJSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(15-2-1-7-19-12-15)13-20-8-10-23-16-5-3-14(4-6-16)18-21-9-11-24-18/h1-7,9,11-12,17,20,22H,8,10,13H2/t17-/m0/s1.
What are the key properties of (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 325.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[4-(1,3-oxazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10193354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).