3-(1-phenylethyl)-1,2,4-oxadiazole

C10H10N2O — CID 23057450

IUPAC3-(1-phenylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1ncon1
InChIInChI=1S/C10H10N2O/c1-8(10-11-7-13-12-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyNHRHNBUDYAORBN-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.22
Rot. Bonds2

About 3-(1-phenylethyl)-1,2,4-oxadiazole

3-(1-phenylethyl)-1,2,4-oxadiazole (PubChem CID 23057450) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1-phenylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-phenylethyl)-1,2,4-oxadiazole
PubChem CID23057450
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(1-phenylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccccc1)c1ncon1
InChIInChI=1S/C10H10N2O/c1-8(10-11-7-13-12-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyNHRHNBUDYAORBN-UHFFFAOYSA-N
XLogP2.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-phenylethyl)-1,2,4-oxadiazole (CID 23057450) is 3-(1-phenylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-phenylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-phenylethyl)-1,2,4-oxadiazole is CC(c1ccccc1)c1ncon1.
What is the InChIKey of 3-(1-phenylethyl)-1,2,4-oxadiazole?
The InChIKey is NHRHNBUDYAORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8(10-11-7-13-12-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 3-(1-phenylethyl)-1,2,4-oxadiazole?
3-(1-phenylethyl)-1,2,4-oxadiazole has a molecular weight of 174.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 23057450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).