5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one

C8H5FN2O2 — CID 2535079

IUPAC5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)o1
InChIInChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyGJHOBBCSKKRRBE-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.17
Rot. Bonds1

About 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 2535079) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID2535079
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)o1
InChIInChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyGJHOBBCSKKRRBE-UHFFFAOYSA-N
XLogP1.17
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one (CID 2535079) is 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GJHOBBCSKKRRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12).
What are the key properties of 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 180.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).