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

C13H17N3O2 — CID 63084824

IUPAC2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(c1ccccc1)c1noc(C(N)CO)n1
InChIInChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(18-16-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3
InChIKeyOWOHPXBOHQIZQI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63084824) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63084824
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(c1ccccc1)c1noc(C(N)CO)n1
InChIInChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(18-16-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3
InChIKeyOWOHPXBOHQIZQI-UHFFFAOYSA-N
XLogP1.39
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63084824) is 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is CC(C)(c1ccccc1)c1noc(C(N)CO)n1.
What is the InChIKey of 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is OWOHPXBOHQIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(18-16-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3.
What are the key properties of 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63084824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).