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

C11H11FN2O2 — CID 58578324

IUPAC3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)n1c(-c2ccccc2F)noc1=O
InChIInChI=1S/C11H11FN2O2/c1-7(2)14-10(13-16-11(14)15)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyKCTWRXIDOOXVCN-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.22
Rot. Bonds2

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

3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 58578324) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID58578324
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)n1c(-c2ccccc2F)noc1=O
InChIInChI=1S/C11H11FN2O2/c1-7(2)14-10(13-16-11(14)15)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyKCTWRXIDOOXVCN-UHFFFAOYSA-N
XLogP2.22
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one (CID 58578324) is 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)n1c(-c2ccccc2F)noc1=O.
What is the InChIKey of 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is KCTWRXIDOOXVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(2)14-10(13-16-11(14)15)8-5-3-4-6-9(8)12/h3-7H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one?
3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 222.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 58578324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).