1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C15H13FN2O3 — CID 22577266

IUPAC1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)o2)OC1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c1-9-3-8-13(20-9)14-17-18(10(2)19)15(21-14)11-4-6-12(16)7-5-11/h3-8,15H,1-2H3
InChIKeyAXXAKRXTRVXARO-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.97
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22577266) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22577266
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)o2)OC1c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c1-9-3-8-13(20-9)14-17-18(10(2)19)15(21-14)11-4-6-12(16)7-5-11/h3-8,15H,1-2H3
InChIKeyAXXAKRXTRVXARO-UHFFFAOYSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22577266) is 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)o2)OC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is AXXAKRXTRVXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-3-8-13(20-9)14-17-18(10(2)19)15(21-14)11-4-6-12(16)7-5-11/h3-8,15H,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 288.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22577266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).