1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine

C10H11N3O — CID 82235847

IUPAC1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1ncno1
InChIInChI=1S/C10H11N3O/c1-10(11,9-12-7-13-14-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyAQIQCOMCACEUGD-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.29
Rot. Bonds2

About 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine

1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine (PubChem CID 82235847) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine
PubChem CID82235847
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)c1ncno1
InChIInChI=1S/C10H11N3O/c1-10(11,9-12-7-13-14-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyAQIQCOMCACEUGD-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
The IUPAC name of 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine (CID 82235847) is 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
The canonical SMILES for 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine is CC(N)(c1ccccc1)c1ncno1.
What is the InChIKey of 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
The InChIKey is AQIQCOMCACEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-10(11,9-12-7-13-14-9)8-5-3-2-4-6-8/h2-7H,11H2,1H3.
What are the key properties of 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine?
1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine has a molecular weight of 189.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-5-yl)-1-phenylethanamine is sourced from PubChem (CID 82235847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).