2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H13N3O2 — CID 104633412

IUPAC2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccccc1-c1nc(C(N)CO)no1
InChIInChI=1S/C11H13N3O2/c1-7-4-2-3-5-8(7)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3
InChIKeyVQVMYNJWQBXMMA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633412) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633412
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccccc1-c1nc(C(N)CO)no1
InChIInChI=1S/C11H13N3O2/c1-7-4-2-3-5-8(7)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3
InChIKeyVQVMYNJWQBXMMA-UHFFFAOYSA-N
XLogP1.04
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114024025
2-amino-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633379
2-amino-2-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633363
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107983725
1-[5-(2,3-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61326456
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-[5-(2-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633484

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633412) is 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1ccccc1-c1nc(C(N)CO)no1.
What is the InChIKey of 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is VQVMYNJWQBXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-4-2-3-5-8(7)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3.
What are the key properties of 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).