5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C18H21N3O — CID 143244285

IUPAC5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1cc(C)cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)c1
InChIInChI=1S/C18H21N3O/c1-12-8-13(2)10-15(9-12)14-6-5-7-16(11-14)18(3)20-17(19)21(4)22-18/h5-11H,1-4H3,(H2,19,20)
InChIKeyOCUNWOZVEZFGLU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.33
Rot. Bonds2

About 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 143244285) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID143244285
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1cc(C)cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)c1
InChIInChI=1S/C18H21N3O/c1-12-8-13(2)10-15(9-12)14-6-5-7-16(11-14)18(3)20-17(19)21(4)22-18/h5-11H,1-4H3,(H2,19,20)
InChIKeyOCUNWOZVEZFGLU-UHFFFAOYSA-N
XLogP3.33
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58197115
CID 58197115
CID 58198140
CID 58198140
5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
CID 59262297
5-[3-(3-Fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262532
5-[3-(3-Chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 59262538
5-[3-(4-Fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
CID 89142804
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-tert-butyl-5-cyclopropyl-5-[4-(4-fluorophenyl)phenyl]-2-methyl-1,2,4-oxadiazol-3-amine
CID 129199343
N-tert-butyl-7'-fluoro-2-methylspiro[1,2,4-oxadiazole-5,2'-tricyclo[10.4.0.03,8]hexadeca-1(16),3(8),4,6,12,14-hexaene]-3-amine
CID 146639472
N-tert-butyl-7'-fluoro-N,2-dimethylspiro[1,2,4-oxadiazole-5,2'-tricyclo[10.4.0.03,8]hexadeca-1(16),3(8),4,6,12,14-hexaene]-3-amine
CID 146639662
5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
CID 163400457
5-[4-(2-fluorocyclohexa-1,5-dien-1-yl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
CID 163401178

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 143244285) is 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is Cc1cc(C)cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)c1.
What is the InChIKey of 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OCUNWOZVEZFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-8-13(2)10-15(9-12)14-6-5-7-16(11-14)18(3)20-17(19)21(4)22-18/h5-11H,1-4H3,(H2,19,20).
What are the key properties of 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 295.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 143244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).