N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide

C38H38ClF3N6O6 — CID 159792534

IUPACN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(OC(F)(F)F)cc2)N1NC(=O)c1ccccc1.CCc1c(OC)cccc1C(=O)NN1C(c2ccc(Cl)cc2)=NOC1(C)C
InChIInChI=1S/C20H22ClN3O3.C18H16F3N3O3/c1-5-15-16(7-6-8-17(15)26-4)19(25)22-24-18(23-27-20(24,2)3)13-9-11-14(21)12-10-13;1-17(2)24(22-16(25)13-6-4-3-5-7-13)15(23-27-17)12-8-10-14(11-9-12)26-18(19,20)21/h6-12H,5H2,1-4H3,(H,22,25);3-11H,1-2H3,(H,22,25)
InChIKeyNISYWMYBGKAHHY-UHFFFAOYSA-N
MW767.21 g/mol
LogP7.65
Rot. Bonds9

About N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide

N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide (PubChem CID 159792534) has the molecular formula C38H38ClF3N6O6 and a molecular weight of 767.21 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide
PubChem CID159792534
Molecular FormulaC38H38ClF3N6O6
Molecular Weight767.21 g/mol
Exact Mass766.25
IUPAC NameN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(OC(F)(F)F)cc2)N1NC(=O)c1ccccc1.CCc1c(OC)cccc1C(=O)NN1C(c2ccc(Cl)cc2)=NOC1(C)C
InChIInChI=1S/C20H22ClN3O3.C18H16F3N3O3/c1-5-15-16(7-6-8-17(15)26-4)19(25)22-24-18(23-27-20(24,2)3)13-9-11-14(21)12-10-13;1-17(2)24(22-16(25)13-6-4-3-5-7-13)15(23-27-17)12-8-10-14(11-9-12)26-18(19,20)21/h6-12H,5H2,1-4H3,(H,22,25);3-11H,1-2H3,(H,22,25)
InChIKeyNISYWMYBGKAHHY-UHFFFAOYSA-N
XLogP7.65
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.21
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide with MolForge

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Related Compounds

N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
CID 10341329
N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide
CID 68959534
sodium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-4-ethylbenzamide;4-ethylbenzoyl chloride;hydroxide
CID 159085473
dipotassium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-3-methoxy-2-methylbenzamide;hydride;methane;3-methoxy-2-methylbenzoyl chloride;oxido formate
CID 158346357
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide
CID 10475171
N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
CID 70366447
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
ethane;N-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156804938
1-(2-ethyl-3-methoxyphenyl)ethenyl trifluoromethanesulfonate
CID 143014498
3-[[4-[[3-[1-(4-chlorophenyl)ethyl]-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 10076778

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide (CID 159792534) is N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide is CC1(C)ON=C(c2ccc(OC(F)(F)F)cc2)N1NC(=O)c1ccccc1.CCc1c(OC)cccc1C(=O)NN1C(c2ccc(Cl)cc2)=NOC1(C)C.
What is the InChIKey of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide?
The InChIKey is NISYWMYBGKAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3.C18H16F3N3O3/c1-5-15-16(7-6-8-17(15)26-4)19(25)22-24-18(23-27-20(24,2)3)13-9-11-14(21)12-10-13;1-17(2)24(22-16(25)13-6-4-3-5-7-13)15(23-27-17)12-8-10-14(11-9-12)26-18(19,20)21/h6-12H,5H2,1-4H3,(H,22,25);3-11H,1-2H3,(H,22,25).
What are the key properties of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide?
N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide has a molecular weight of 767.21 g/mol, XLogP of 7.65, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-ethyl-3-methoxybenzamide;N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]benzamide is sourced from PubChem (CID 159792534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).