2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

C11H13N3O2 — CID 104827027

IUPAC2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESNc1ccccc1Cc1nc(CCO)no1
InChIInChI=1S/C11H13N3O2/c12-9-4-2-1-3-8(9)7-11-13-10(5-6-15)14-16-11/h1-4,15H,5-7,12H2
InChIKeyYQLPKGQJAMEMJC-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.78
Rot. Bonds4

About 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104827027) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104827027
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESNc1ccccc1Cc1nc(CCO)no1
InChIInChI=1S/C11H13N3O2/c12-9-4-2-1-3-8(9)7-11-13-10(5-6-15)14-16-11/h1-4,15H,5-7,12H2
InChIKeyYQLPKGQJAMEMJC-UHFFFAOYSA-N
XLogP0.78
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
2-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115079599
2-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113391089
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536700
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535165
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 82471879
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535937
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 104827027) is 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is Nc1ccccc1Cc1nc(CCO)no1.
What is the InChIKey of 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is YQLPKGQJAMEMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-9-4-2-1-3-8(9)7-11-13-10(5-6-15)14-16-11/h1-4,15H,5-7,12H2.
What are the key properties of 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 219.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104827027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).