3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

C13H9FN2O3 — CID 47126495

IUPAC3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1Cc1ccccc1F
InChIInChI=1S/C13H9FN2O3/c14-10-5-2-1-4-9(10)8-16-13(17)19-12(15-16)11-6-3-7-18-11/h1-7H,8H2
InChIKeyIRDJSPNICWKWSQ-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.28
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one

3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (PubChem CID 47126495) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
PubChem CID47126495
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccco2)nn1Cc1ccccc1F
InChIInChI=1S/C13H9FN2O3/c14-10-5-2-1-4-9(10)8-16-13(17)19-12(15-16)11-6-3-7-18-11/h1-7H,8H2
InChIKeyIRDJSPNICWKWSQ-UHFFFAOYSA-N
XLogP2.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one (CID 47126495) is 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccco2)nn1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is IRDJSPNICWKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-10-5-2-1-4-9(10)8-16-13(17)19-12(15-16)11-6-3-7-18-11/h1-7H,8H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one?
3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 260.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 47126495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).