1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine

C10H11N3O — CID 61323561

IUPAC1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(-c2ccccc2)n1
InChIInChI=1S/C10H11N3O/c1-7(11)9-12-10(14-13-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyQYGCRZARFUVKLC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.76
Rot. Bonds2

About 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine

1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 61323561) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID61323561
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(-c2ccccc2)n1
InChIInChI=1S/C10H11N3O/c1-7(11)9-12-10(14-13-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyQYGCRZARFUVKLC-UHFFFAOYSA-N
XLogP1.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 61323561) is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine is CC(N)c1noc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is QYGCRZARFUVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(11)9-12-10(14-13-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3.
What are the key properties of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine?
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 189.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 61323561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).