2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol

C8H15N3O2 — CID 66167315

IUPAC2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(C)(C)c1noc(C(O)CN)n1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)7-10-6(13-11-7)5(12)4-9/h5,12H,4,9H2,1-3H3
InChIKeyVVRZYYLSHAKUIN-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol

2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 66167315) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID66167315
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(C)(C)c1noc(C(O)CN)n1
InChIInChI=1S/C8H15N3O2/c1-8(2,3)7-10-6(13-11-7)5(12)4-9/h5,12H,4,9H2,1-3H3
InChIKeyVVRZYYLSHAKUIN-UHFFFAOYSA-N
XLogP0.36
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol (CID 66167315) is 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol is CC(C)(C)c1noc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is VVRZYYLSHAKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2,3)7-10-6(13-11-7)5(12)4-9/h5,12H,4,9H2,1-3H3.
What are the key properties of 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol?
2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 185.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 66167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).