2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole

C15H17FN2O2 — CID 56784949

IUPAC2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(C2(c3cccc(F)c3)CCOCC2)o1
InChIInChI=1S/C15H17FN2O2/c1-2-13-17-18-14(20-13)15(6-8-19-9-7-15)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3
InChIKeyGGAYASZUJZIZSB-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.87
Rot. Bonds3

About 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole

2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (PubChem CID 56784949) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
PubChem CID56784949
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(C2(c3cccc(F)c3)CCOCC2)o1
InChIInChI=1S/C15H17FN2O2/c1-2-13-17-18-14(20-13)15(6-8-19-9-7-15)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3
InChIKeyGGAYASZUJZIZSB-UHFFFAOYSA-N
XLogP2.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole (CID 56784949) is 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is CCc1nnc(C2(c3cccc(F)c3)CCOCC2)o1.
What is the InChIKey of 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
The InChIKey is GGAYASZUJZIZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-13-17-18-14(20-13)15(6-8-19-9-7-15)11-4-3-5-12(16)10-11/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole?
2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56784949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).