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

C11H13N3O2 — CID 59405308

IUPAC2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESOCCNc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O2/c15-7-6-12-11-13-10(14-16-11)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14)
InChIKeyNZKYERGCGLEVRJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.06
Rot. Bonds5

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

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol (PubChem CID 59405308) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol
PubChem CID59405308
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESOCCNc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O2/c15-7-6-12-11-13-10(14-16-11)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14)
InChIKeyNZKYERGCGLEVRJ-UHFFFAOYSA-N
XLogP1.06
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol (CID 59405308) is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol is OCCNc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The InChIKey is NZKYERGCGLEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-6-12-11-13-10(14-16-11)8-9-4-2-1-3-5-9/h1-5,15H,6-8H2,(H,12,13,14).
What are the key properties of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 59405308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).