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

C12H15N3O2 — CID 61385059

IUPAC2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(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
InChIKeyLVMPUEOFEHBJAJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds5

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

2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 61385059) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID61385059
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(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
InChIKeyLVMPUEOFEHBJAJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 61385059) is 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol is NC(CO)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is LVMPUEOFEHBJAJ-UHFFFAOYSA-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.
What are the key properties of 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol?
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 2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 61385059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).