3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine

C17H14F3N3O3 — CID 20910060

IUPAC3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(OC)c(-c2noc(Nc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H14F3N3O3/c1-24-12-6-7-14(25-2)13(9-12)15-22-16(26-23-15)21-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyVGYPRVXADUMPHX-UHFFFAOYSA-N
MW365.31 g/mol
LogP4.52
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine

3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine (PubChem CID 20910060) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
PubChem CID20910060
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(OC)c(-c2noc(Nc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H14F3N3O3/c1-24-12-6-7-14(25-2)13(9-12)15-22-16(26-23-15)21-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyVGYPRVXADUMPHX-UHFFFAOYSA-N
XLogP4.52
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20952719
N-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20910064
3-(2,3-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952735
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
1-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]phenyl]ethanone
CID 20952694
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
CID 20912166
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
ethyl 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]benzoate
CID 20881472
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine (CID 20910060) is 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine is COc1ccc(OC)c(-c2noc(Nc3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is VGYPRVXADUMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-24-12-6-7-14(25-2)13(9-12)15-22-16(26-23-15)21-11-5-3-4-10(8-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine?
3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 365.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20910060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).