3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol

C11H13N3O3 — CID 103822428

IUPAC3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNCCOCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C11H13N3O3/c12-4-5-16-7-10-13-11(14-17-10)8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2
InChIKeyBICVEWRJZGYWDW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.92
Rot. Bonds5

About 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 103822428) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID103822428
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESNCCOCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C11H13N3O3/c12-4-5-16-7-10-13-11(14-17-10)8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2
InChIKeyBICVEWRJZGYWDW-UHFFFAOYSA-N
XLogP0.92
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.92
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-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463985
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
2-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79463409
3-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 78953778
1-[3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
CID 167965373
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 103822428) is 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol is NCCOCc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is BICVEWRJZGYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-4-5-16-7-10-13-11(14-17-10)8-2-1-3-9(15)6-8/h1-3,6,15H,4-5,7,12H2.
What are the key properties of 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 235.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 103822428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).