[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol

C20H22N2O3 — CID 71990932

IUPAC[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ncc(-c3ccccc3)o2)cc1CO
InChIInChI=1S/C20H22N2O3/c1-3-24-18-10-9-17(11-16(18)13-23)22-14(2)20-21-12-19(25-20)15-7-5-4-6-8-15/h4-12,14,22-23H,3,13H2,1-2H3
InChIKeyPSDIFGJEARYEAL-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.41
Rot. Bonds7

About [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol

[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol (PubChem CID 71990932) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
PubChem CID71990932
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
SMILESCCOc1ccc(NC(C)c2ncc(-c3ccccc3)o2)cc1CO
InChIInChI=1S/C20H22N2O3/c1-3-24-18-10-9-17(11-16(18)13-23)22-14(2)20-21-12-19(25-20)15-7-5-4-6-8-15/h4-12,14,22-23H,3,13H2,1-2H3
InChIKeyPSDIFGJEARYEAL-UHFFFAOYSA-N
XLogP4.41
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71991023
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
CID 99817504
3-[1-[4-ethoxy-3-(hydroxymethyl)anilino]ethyl]phenol
CID 60980205
5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 71991004
[2-ethoxy-5-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanol
CID 54881622
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol (CID 71990932) is [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol is CCOc1ccc(NC(C)c2ncc(-c3ccccc3)o2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The InChIKey is PSDIFGJEARYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-24-18-10-9-17(11-16(18)13-23)22-14(2)20-21-12-19(25-20)15-7-5-4-6-8-15/h4-12,14,22-23H,3,13H2,1-2H3.
What are the key properties of [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol has a molecular weight of 338.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 71990932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).