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

C15H12F2N2O — CID 4963255

IUPAC5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(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)
InChIKeyCDWFQZPEJSNRFX-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.25
Rot. Bonds2

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

5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 4963255) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID4963255
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(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)
InChIKeyCDWFQZPEJSNRFX-UHFFFAOYSA-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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Related Compounds

4-(3-Phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
CID 4564672
5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
3-methoxy-3H-isoindol-1-amine
CID 13353217
3,5-Diphenyl-2,5-dihydro-1,2,4-oxadiazole
CID 85785376
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75939506
(2Z)-N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 15240323
N-methoxy-N'-methyl-2-methylimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 59934451
3-Methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 67488059
N-methoxy-N'-methyl-2-methylimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 72599808
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 73189920
N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide
CID 88887063
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
CID 90971576

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 4963255) is 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=NC(c2c(F)cccc2F)ON1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is CDWFQZPEJSNRFX-UHFFFAOYSA-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).
What are the key properties of 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
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 5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 4963255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).