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

C17H19FN2O3 — CID 95617887

IUPAC2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc([C@H]4CCCO4)o3)CCOCC2)cc1
InChIInChI=1S/C17H19FN2O3/c18-13-5-3-12(4-6-13)17(7-10-21-11-8-17)16-20-19-15(23-16)14-2-1-9-22-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1
InChIKeyRMKHQFDGQBSPDK-CQSZACIVSA-N
MW318.35 g/mol
LogP3.16
Rot. Bonds3

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

2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (PubChem CID 95617887) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
PubChem CID95617887
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(C2(c3nnc([C@H]4CCCO4)o3)CCOCC2)cc1
InChIInChI=1S/C17H19FN2O3/c18-13-5-3-12(4-6-13)17(7-10-21-11-8-17)16-20-19-15(23-16)14-2-1-9-22-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1
InChIKeyRMKHQFDGQBSPDK-CQSZACIVSA-N
XLogP3.16
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole (CID 95617887) is 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is Fc1ccc(C2(c3nnc([C@H]4CCCO4)o3)CCOCC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
The InChIKey is RMKHQFDGQBSPDK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-13-5-3-12(4-6-13)17(7-10-21-11-8-17)16-20-19-15(23-16)14-2-1-9-22-14/h3-6,14H,1-2,7-11H2/t14-/m1/s1.
What are the key properties of 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole?
2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole has a molecular weight of 318.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95617887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).