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

C10H10N2O — CID 927078

IUPAC2-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnco2)cc1
InChIInChI=1S/C10H10N2O/c1-2-4-9(5-3-1)6-7-10-12-11-8-13-10/h1-5,8H,6-7H2
InChIKeyHHQYVDCBSXDRLW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.85
Rot. Bonds3

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

2-(2-phenylethyl)-1,3,4-oxadiazole (PubChem CID 927078) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylethyl)-1,3,4-oxadiazole
PubChem CID927078
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnco2)cc1
InChIInChI=1S/C10H10N2O/c1-2-4-9(5-3-1)6-7-10-12-11-8-13-10/h1-5,8H,6-7H2
InChIKeyHHQYVDCBSXDRLW-UHFFFAOYSA-N
XLogP1.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylethyl)-1,3,4-oxadiazole (CID 927078) is 2-(2-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylethyl)-1,3,4-oxadiazole is c1ccc(CCc2nnco2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is HHQYVDCBSXDRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-4-9(5-3-1)6-7-10-12-11-8-13-10/h1-5,8H,6-7H2.
What are the key properties of 2-(2-phenylethyl)-1,3,4-oxadiazole?
2-(2-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 174.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 927078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).