5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C13H13FN2O2 — CID 72916243

IUPAC5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H13FN2O2/c1-8-2-3-10(14)6-11(8)13-15-12(16-18-13)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyDFTXUCHVSFJRKF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.69
Rot. Bonds2

About 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72916243) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72916243
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1ccc(F)cc1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H13FN2O2/c1-8-2-3-10(14)6-11(8)13-15-12(16-18-13)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3
InChIKeyDFTXUCHVSFJRKF-UHFFFAOYSA-N
XLogP2.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72916243) is 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1ccc(F)cc1-c1nc(C2CCOC2)no1.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is DFTXUCHVSFJRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-2-3-10(14)6-11(8)13-15-12(16-18-13)9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 248.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72916243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).