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

C23H21F3N2O — CID 143910290

IUPACethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC.FC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1
InChIInChI=1S/C21H15F3N2O.C2H6/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-2/h1-13,20H,(H,25,26);1-2H3
InChIKeyRLKYKNXFQKAGAH-UHFFFAOYSA-N
MW398.43 g/mol
LogP6.38
Rot. Bonds3

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

ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 143910290) has the molecular formula C23H21F3N2O and a molecular weight of 398.43 g/mol. Its IUPAC name is ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID143910290
Molecular FormulaC23H21F3N2O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Nameethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC.FC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1
InChIInChI=1S/C21H15F3N2O.C2H6/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-2/h1-13,20H,(H,25,26);1-2H3
InChIKeyRLKYKNXFQKAGAH-UHFFFAOYSA-N
XLogP6.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 56.38
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
N-methoxy-2-methoxyimino-N'-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]ethanimidamide
CID 90971576
N-methoxy-N'-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanimidamide
CID 141617201
N-methoxy-N'-methyl-2-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]ethanimidamide
CID 141620003
formaldehyde;4-(propylaminomethyl)-N'-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]benzenecarboximidamide
CID 143634125

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 143910290) is ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is CC.FC(F)(F)c1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)NO2)c1.
What is the InChIKey of ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is RLKYKNXFQKAGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O.C2H6/c22-21(23,24)18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-25-19(26-27-20)15-9-5-2-6-10-15;1-2/h1-13,20H,(H,25,26);1-2H3.
What are the key properties of ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 398.43 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 143910290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).