3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole

C22H17F3N2O — CID 143910029

IUPAC3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2cc(-c3ccccc3)cc(C(F)(F)F)c2)ON1
InChIInChI=1S/C22H17F3N2O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25/h2-13,21H,1H3,(H,26,27)
InChIKeyFYIJHGVKTQXOFE-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.66
Rot. Bonds3

About 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole

3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 143910029) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID143910029
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2cc(-c3ccccc3)cc(C(F)(F)F)c2)ON1
InChIInChI=1S/C22H17F3N2O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25/h2-13,21H,1H3,(H,26,27)
InChIKeyFYIJHGVKTQXOFE-UHFFFAOYSA-N
XLogP5.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 1820203
(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
(2E)-2-methoxyimino-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 59942505
N-methoxy-N'-methyl-2-methylimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 72599808
2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 72602325
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 73189920
2-[Methyl-[[3-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid
CID 89016971
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
CID 90971576
2-Methyl-17'-[3-(trifluoromethyl)phenyl]spiro[1,2,4-oxadiazole-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-3-amine
CID 91068557
N'-[[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]methyl]-N-methoxymethanimidamide
CID 134581279

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 143910029) is 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=NC(c2cc(-c3ccccc3)cc(C(F)(F)F)c2)ON1.
What is the InChIKey of 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FYIJHGVKTQXOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-14-7-5-6-10-19(14)20-26-21(28-27-20)17-11-16(15-8-3-2-4-9-15)12-18(13-17)22(23,24)25/h2-13,21H,1H3,(H,26,27).
What are the key properties of 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 382.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).