2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol

C14H19N3O3 — CID 106413823

IUPAC2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
SMILESCCOc1cc(CNCCc2noc(C)n2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-3-19-13-8-11(4-5-12(13)18)9-15-7-6-14-16-10(2)20-17-14/h4-5,8,15,18H,3,6-7,9H2,1-2H3
InChIKeyASNFLRBVHUFZEG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.81
Rot. Bonds7

About 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol

2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol (PubChem CID 106413823) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
PubChem CID106413823
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
SMILESCCOc1cc(CNCCc2noc(C)n2)ccc1O
InChIInChI=1S/C14H19N3O3/c1-3-19-13-8-11(4-5-12(13)18)9-15-7-6-14-16-10(2)20-17-14/h4-5,8,15,18H,3,6-7,9H2,1-2H3
InChIKeyASNFLRBVHUFZEG-UHFFFAOYSA-N
XLogP1.81
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.81
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

2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
2-ethoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 55081400
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
6-[(3-ethoxy-4-hydroxyphenyl)methylamino]hexanoic acid
CID 82364313
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol (CID 106413823) is 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol is CCOc1cc(CNCCc2noc(C)n2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol?
The InChIKey is ASNFLRBVHUFZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-19-13-8-11(4-5-12(13)18)9-15-7-6-14-16-10(2)20-17-14/h4-5,8,15,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol?
2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol has a molecular weight of 277.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 106413823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).