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

C11H9FN2O2 — CID 137103839

IUPAC3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)11(5-6-11)9-13-10(15)16-14-9/h1-4H,5-6H2,(H,13,14,15)
InChIKeyNGJOKUSPFHHGFW-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.58
Rot. Bonds2

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

3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137103839) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137103839
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(C2(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)11(5-6-11)9-13-10(15)16-14-9/h1-4H,5-6H2,(H,13,14,15)
InChIKeyNGJOKUSPFHHGFW-UHFFFAOYSA-N
XLogP1.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one (CID 137103839) is 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(C2(c3ccc(F)cc3)CC2)no1.
What is the InChIKey of 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is NGJOKUSPFHHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-3-1-7(2-4-8)11(5-6-11)9-13-10(15)16-14-9/h1-4H,5-6H2,(H,13,14,15).
What are the key properties of 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one?
3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 220.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)cyclopropyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137103839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).