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

C13H17N3O2 — CID 104633252

IUPAC2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(C)(c1ccccc1)c1nc(C(N)CO)no1
InChIInChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(16-18-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3
InChIKeyOILFVZSDZCEGRM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633252) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633252
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(C)(c1ccccc1)c1nc(C(N)CO)no1
InChIInChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(16-18-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3
InChIKeyOILFVZSDZCEGRM-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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Related Compounds

2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63084824
2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633193
2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633124
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633252) is 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is CC(C)(c1ccccc1)c1nc(C(N)CO)no1.
What is the InChIKey of 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is OILFVZSDZCEGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,9-6-4-3-5-7-9)12-15-11(16-18-12)10(14)8-17/h3-7,10,17H,8,14H2,1-2H3.
What are the key properties of 2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-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-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).