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

C12H15N3O2 — CID 104915658

IUPAC(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C12H15N3O2/c13-10(8-16)12-14-11(15-17-12)7-6-9-4-2-1-3-5-9/h1-5,10,16H,6-8,13H2/t10-/m0/s1
InChIKeyLVMPUEOFEHBJAJ-JTQLQIEISA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds5

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

(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915658) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915658
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C12H15N3O2/c13-10(8-16)12-14-11(15-17-12)7-6-9-4-2-1-3-5-9/h1-5,10,16H,6-8,13H2/t10-/m0/s1
InChIKeyLVMPUEOFEHBJAJ-JTQLQIEISA-N
XLogP0.85
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059
(1S)-2-methyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113310656
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62675383
3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222594
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222546
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
2-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103500449
(2R)-2-amino-2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 104915640
(2S)-2-amino-2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 93244209
4-[[5-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43104742
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915658) is (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@@H](CO)c1nc(CCc2ccccc2)no1.
What is the InChIKey of (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is LVMPUEOFEHBJAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O2/c13-10(8-16)12-14-11(15-17-12)7-6-9-4-2-1-3-5-9/h1-5,10,16H,6-8,13H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).