5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine

C14H19N3O — CID 82479129

IUPAC5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nnc(N)o1
InChIInChI=1S/C14H19N3O/c1-8-6-10(14(3,4)5)7-9(2)11(8)12-16-17-13(15)18-12/h6-7H,1-5H3,(H2,15,17)
InChIKeyURNHWEYAUGLOBV-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.23
Rot. Bonds1

About 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine

5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 82479129) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID82479129
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nnc(N)o1
InChIInChI=1S/C14H19N3O/c1-8-6-10(14(3,4)5)7-9(2)11(8)12-16-17-13(15)18-12/h6-7H,1-5H3,(H2,15,17)
InChIKeyURNHWEYAUGLOBV-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
8,17,26-tritert-butyl-29,31,33-trioxa-3,4,12,13,21,22-hexazaheptacyclo[22.3.1.12,5.16,10.111,14.115,19.120,23]tritriaconta-1(28),2,4,6(32),7,9,11,13,15,17,19(30),20,22,24,26-pentadecaene
CID 102320160
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 169269980
5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 10380451
5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 16768183
6-(4-tert-butyl-2,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82305702
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-amine
CID 104670086

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine (CID 82479129) is 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cc(C(C)(C)C)cc(C)c1-c1nnc(N)o1.
What is the InChIKey of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is URNHWEYAUGLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8-6-10(14(3,4)5)7-9(2)11(8)12-16-17-13(15)18-12/h6-7H,1-5H3,(H2,15,17).
What are the key properties of 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 82479129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).