3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one

C11H11FN2O2 — CID 88910933

IUPAC3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1cccc(-c2nn(CCF)c(=O)o2)c1
InChIInChI=1S/C11H11FN2O2/c1-8-3-2-4-9(7-8)10-13-14(6-5-12)11(15)16-10/h2-4,7H,5-6H2,1H3
InChIKeyHSWLTNKDEWHTRV-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.78
Rot. Bonds3

About 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one

3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 88910933) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one
PubChem CID88910933
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one
SMILESCc1cccc(-c2nn(CCF)c(=O)o2)c1
InChIInChI=1S/C11H11FN2O2/c1-8-3-2-4-9(7-8)10-13-14(6-5-12)11(15)16-10/h2-4,7H,5-6H2,1H3
InChIKeyHSWLTNKDEWHTRV-UHFFFAOYSA-N
XLogP1.78
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one (CID 88910933) is 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one is Cc1cccc(-c2nn(CCF)c(=O)o2)c1.
What is the InChIKey of 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is HSWLTNKDEWHTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-8-3-2-4-9(7-8)10-13-14(6-5-12)11(15)16-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one?
3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 222.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-(3-methylphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 88910933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).