5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C14H14F2N2O2 — CID 72868526

IUPAC5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(CCc2nc(C3CCOC3)no2)cc1F
InChIInChI=1S/C14H14F2N2O2/c15-11-3-1-9(7-12(11)16)2-4-13-17-14(18-20-13)10-5-6-19-8-10/h1,3,7,10H,2,4-6,8H2
InChIKeyGAEOVVVXPPBYES-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.64
Rot. Bonds4

About 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72868526) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72868526
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccc(CCc2nc(C3CCOC3)no2)cc1F
InChIInChI=1S/C14H14F2N2O2/c15-11-3-1-9(7-12(11)16)2-4-13-17-14(18-20-13)10-5-6-19-8-10/h1,3,7,10H,2,4-6,8H2
InChIKeyGAEOVVVXPPBYES-UHFFFAOYSA-N
XLogP2.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72868526) is 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Fc1ccc(CCc2nc(C3CCOC3)no2)cc1F.
What is the InChIKey of 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is GAEOVVVXPPBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c15-11-3-1-9(7-12(11)16)2-4-13-17-14(18-20-13)10-5-6-19-8-10/h1,3,7,10H,2,4-6,8H2.
What are the key properties of 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 280.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-difluorophenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72868526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).