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

C13H25N3O2 — CID 104633234

IUPAC2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCCCCCCCCCc1nc(C(N)CO)no1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17/h11,17H,2-10,14H2,1H3
InChIKeyGBEFMVXVVLGTOL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.35
Rot. Bonds10

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

2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 104633234) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID104633234
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCCCCCCCCCc1nc(C(N)CO)no1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17/h11,17H,2-10,14H2,1H3
InChIKeyGBEFMVXVVLGTOL-UHFFFAOYSA-N
XLogP2.35
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
2-ethoxy-1-(5-heptyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 113435433
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704321
3-(1-chloropropyl)-5-octyl-1,2,4-oxadiazole
CID 103095587
1-(5-ethyl-1,2,4-oxadiazol-3-yl)hexan-1-amine
CID 43559341
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 103211802
3-iodo-5-octyl-1,2,4-oxadiazole
CID 112572300
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 114753767

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol (CID 104633234) is 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol is CCCCCCCCCc1nc(C(N)CO)no1.
What is the InChIKey of 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is GBEFMVXVVLGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-4-5-6-7-8-9-12-15-13(16-18-12)11(14)10-17/h11,17H,2-10,14H2,1H3.
What are the key properties of 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol?
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 255.36 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 104633234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).