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

C13H17N3O3 — CID 103922840

IUPAC4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCCc2nc(C)no2)c1
InChIInChI=1S/C13H17N3O3/c1-9-15-13(19-16-9)5-6-14-8-10-7-11(18-2)3-4-12(10)17/h3-4,7,14,17H,5-6,8H2,1-2H3
InChIKeyIUJSARQQBXIZTL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.42
Rot. Bonds6

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

4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol (PubChem CID 103922840) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
PubChem CID103922840
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCCc2nc(C)no2)c1
InChIInChI=1S/C13H17N3O3/c1-9-15-13(19-16-9)5-6-14-8-10-7-11(18-2)3-4-12(10)17/h3-4,7,14,17H,5-6,8H2,1-2H3
InChIKeyIUJSARQQBXIZTL-UHFFFAOYSA-N
XLogP1.42
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953412
2-(4-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106416674
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
4-methoxy-3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106416355
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417232
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol (CID 103922840) is 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol is COc1ccc(O)c(CNCCc2nc(C)no2)c1.
What is the InChIKey of 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol?
The InChIKey is IUJSARQQBXIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-15-13(19-16-9)5-6-14-8-10-7-11(18-2)3-4-12(10)17/h3-4,7,14,17H,5-6,8H2,1-2H3.
What are the key properties of 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol?
4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol has a molecular weight of 263.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103922840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).