3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole

C30H15F9N4O2 — CID 23379870

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc4cc(-c5nc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)no5)ccc4c3)no2)c(C(F)(F)F)c1
InChIInChI=1S/C30H15F9N4O2/c1-14-2-7-22(23(8-14)30(37,38)39)27-41-24(42-45-27)17-5-3-16-10-18(6-4-15(16)9-17)26-40-25(43-44-26)19-11-20(28(31,32)33)13-21(12-19)29(34,35)36/h2-13H,1H3
InChIKeyPIUXBUVFJPKYEA-UHFFFAOYSA-N
MW634.46 g/mol
LogP9.64
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole

3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole (PubChem CID 23379870) has the molecular formula C30H15F9N4O2 and a molecular weight of 634.46 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
PubChem CID23379870
Molecular FormulaC30H15F9N4O2
Molecular Weight634.46 g/mol
Exact Mass634.11
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc4cc(-c5nc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)no5)ccc4c3)no2)c(C(F)(F)F)c1
InChIInChI=1S/C30H15F9N4O2/c1-14-2-7-22(23(8-14)30(37,38)39)27-41-24(42-45-27)17-5-3-16-10-18(6-4-15(16)9-17)26-40-25(43-44-26)19-11-20(28(31,32)33)13-21(12-19)29(34,35)36/h2-13H,1H3
InChIKeyPIUXBUVFJPKYEA-UHFFFAOYSA-N
XLogP9.64
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.46
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 3241690
3-(4-(5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole
CID 44405381
3-(4-(5-(4-Cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412882
4-[5-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 155513060
5-(1-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 659576
Unii-ZU57hfi5YM
CID 46932843
3-[7-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 46829700
2-[7-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 46829719
3-Phenyl-5-(2-phenylphenyl)-1,2,4-oxadiazole
CID 976058
5-(2-Fluorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 2238983
3-Phenyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 2742618
3-[4-(3-Methyl-1,2,4-oxadiazol-5-YL)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 16031759

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole (CID 23379870) is 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc4cc(-c5nc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)no5)ccc4c3)no2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?
The InChIKey is PIUXBUVFJPKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15F9N4O2/c1-14-2-7-22(23(8-14)30(37,38)39)27-41-24(42-45-27)17-5-3-16-10-18(6-4-15(16)9-17)26-40-25(43-44-26)19-11-20(28(31,32)33)13-21(12-19)29(34,35)36/h2-13H,1H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole?
3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole has a molecular weight of 634.46 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-5-[6-[5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 23379870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).