1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol

C13H17N3O3 — CID 106400913

IUPAC1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
SMILESCOc1ccc(C(O)CNCCc2ncon2)cc1
InChIInChI=1S/C13H17N3O3/c1-18-11-4-2-10(3-5-11)12(17)8-14-7-6-13-15-9-19-16-13/h2-5,9,12,14,17H,6-8H2,1H3
InChIKeyFIMXVXFIDMVVEW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol

1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol (PubChem CID 106400913) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
PubChem CID106400913
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
SMILESCOc1ccc(C(O)CNCCc2ncon2)cc1
InChIInChI=1S/C13H17N3O3/c1-18-11-4-2-10(3-5-11)12(17)8-14-7-6-13-15-9-19-16-13/h2-5,9,12,14,17H,6-8H2,1H3
InChIKeyFIMXVXFIDMVVEW-UHFFFAOYSA-N
XLogP0.94
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
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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Related Compounds

1-(4-methylsulfonylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106401084
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
1-(2,5-difluorophenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400706
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
1-(2,5-dimethylphenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106400654
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol (CID 106400913) is 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol is COc1ccc(C(O)CNCCc2ncon2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol?
The InChIKey is FIMXVXFIDMVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-11-4-2-10(3-5-11)12(17)8-14-7-6-13-15-9-19-16-13/h2-5,9,12,14,17H,6-8H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol?
1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol has a molecular weight of 263.30 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 106400913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).