(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C15H12F2N2O — CID 2346998

IUPAC(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=N[C@H](c2c(F)cccc2F)ON1
InChIInChI=1S/C15H12F2N2O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8,15H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyCDWFQZPEJSNRFX-HNNXBMFYSA-N
MW274.27 g/mol
LogP3.25
Rot. Bonds2

About (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 2346998) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID2346998
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=N[C@H](c2c(F)cccc2F)ON1
InChIInChI=1S/C15H12F2N2O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8,15H,1H3,(H,18,19)/t15-/m0/s1
InChIKeyCDWFQZPEJSNRFX-HNNXBMFYSA-N
XLogP3.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 2346998) is (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=N[C@H](c2c(F)cccc2F)ON1.
What is the InChIKey of (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is CDWFQZPEJSNRFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8,15H,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 274.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 2346998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).