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

C5H9N3O2 — CID 172999182

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCc1noc(NC(C)O)n1
InChIInChI=1S/C5H9N3O2/c1-3-6-5(10-8-3)7-4(2)9/h4,9H,1-2H3,(H,6,7,8)
InChIKeyIRJWHKWKQSEKHM-UHFFFAOYSA-N
MW143.15 g/mol
LogP0.13
Rot. Bonds2

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol (PubChem CID 172999182) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
PubChem CID172999182
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCc1noc(NC(C)O)n1
InChIInChI=1S/C5H9N3O2/c1-3-6-5(10-8-3)7-4(2)9/h4,9H,1-2H3,(H,6,7,8)
InChIKeyIRJWHKWKQSEKHM-UHFFFAOYSA-N
XLogP0.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol (CID 172999182) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol is Cc1noc(NC(C)O)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The InChIKey is IRJWHKWKQSEKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3-6-5(10-8-3)7-4(2)9/h4,9H,1-2H3,(H,6,7,8).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol has a molecular weight of 143.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 172999182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).