3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole

C14H14N2O2 — CID 71971345

IUPAC3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESC(=Cc1nc(C2CCOC2)no1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h1-7,12H,8-10H2
InChIKeyYJMHLHZCCOGPPI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds3

About 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole (PubChem CID 71971345) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
PubChem CID71971345
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESC(=Cc1nc(C2CCOC2)no1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h1-7,12H,8-10H2
InChIKeyYJMHLHZCCOGPPI-UHFFFAOYSA-N
XLogP2.74
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole (CID 71971345) is 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole is C(=Cc1nc(C2CCOC2)no1)c1ccccc1.
What is the InChIKey of 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The InChIKey is YJMHLHZCCOGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-4-11(5-3-1)6-7-13-15-14(16-18-13)12-8-9-17-10-12/h1-7,12H,8-10H2.
What are the key properties of 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole has a molecular weight of 242.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71971345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).