5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole

C15H15FN2O — CID 163401178

IUPAC5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
SMILESCC1(c2ccc(C3=C(F)CCC=C3)cc2)N=CNO1
InChIInChI=1S/C15H15FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2,4,6-10H,3,5H2,1H3,(H,17,18)
InChIKeyAUJITHPKYVFXGL-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole

5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole (PubChem CID 163401178) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
PubChem CID163401178
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
SMILESCC1(c2ccc(C3=C(F)CCC=C3)cc2)N=CNO1
InChIInChI=1S/C15H15FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2,4,6-10H,3,5H2,1H3,(H,17,18)
InChIKeyAUJITHPKYVFXGL-UHFFFAOYSA-N
XLogP3.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-(3-Fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262532
5-[3-(4-Fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 89142804
5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
CID 163400457
5-methyl-5-phenyl-2H-1,2,4-oxadiazole
CID 17951773
5-Tert-butyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 57845001
2,5-Dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine
CID 58646313
5-Phenyl-2,5-dihydro-1,2,4-oxadiazole
CID 70149865
2-Methyl-5-phenyl-5-prop-1-en-2-yl-1,2,4-oxadiazol-3-amine
CID 89115955
5-Ethyl-2-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 129188364
5-[3-(3,5-Dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 143244285
6,6-Dimethyl-5-phenyl-2,5-dihydro-1,2,4-oxadiazine
CID 145262835
5-[2-(4-Methylphenyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 177725617

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole (CID 163401178) is 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole is CC1(c2ccc(C3=C(F)CCC=C3)cc2)N=CNO1.
What is the InChIKey of 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The InChIKey is AUJITHPKYVFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2,4,6-10H,3,5H2,1H3,(H,17,18).
What are the key properties of 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole is sourced from PubChem (CID 163401178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).