2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine

C16H17N3O — CID 58646313

IUPAC2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C16H17N3O/c1-16(18-15(17)19(2)20-16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,17,18)
InChIKeyMHIITZDFDAYQHK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.72
Rot. Bonds2

About 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine

2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 58646313) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine
PubChem CID58646313
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C16H17N3O/c1-16(18-15(17)19(2)20-16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,17,18)
InChIKeyMHIITZDFDAYQHK-UHFFFAOYSA-N
XLogP2.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.72
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 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine (CID 58646313) is 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine is CN1OC(C)(c2cccc(-c3ccccc3)c2)N=C1N.
What is the InChIKey of 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is MHIITZDFDAYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(18-15(17)19(2)20-16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H2,17,18).
What are the key properties of 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine?
2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 267.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-(3-phenylphenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 58646313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).