2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole

C11H10N2O3 — CID 54351767

IUPAC2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(OCC3CO3)o2)cc1
InChIInChI=1S/C11H10N2O3/c1-2-4-8(5-3-1)10-12-13-11(16-10)15-7-9-6-14-9/h1-5,9H,6-7H2
InChIKeyUGGQQJBMDLDYHZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.51
Rot. Bonds4

About 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole

2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole (PubChem CID 54351767) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
PubChem CID54351767
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(OCC3CO3)o2)cc1
InChIInChI=1S/C11H10N2O3/c1-2-4-8(5-3-1)10-12-13-11(16-10)15-7-9-6-14-9/h1-5,9H,6-7H2
InChIKeyUGGQQJBMDLDYHZ-UHFFFAOYSA-N
XLogP1.51
TPSA60.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole (CID 54351767) is 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(OCC3CO3)o2)cc1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UGGQQJBMDLDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-4-8(5-3-1)10-12-13-11(16-10)15-7-9-6-14-9/h1-5,9H,6-7H2.
What are the key properties of 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole?
2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 218.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 54351767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).