(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine

C17H25N3O — CID 43559856

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-16(2,3)12-9-7-11(8-10-12)13(18)14-19-15(21-20-14)17(4,5)6/h7-10,13H,18H2,1-6H3
InChIKeyPHGLQTUHOOGKJD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.71
Rot. Bonds2

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine (PubChem CID 43559856) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
PubChem CID43559856
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2noc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-16(2,3)12-9-7-11(8-10-12)13(18)14-19-15(21-20-14)17(4,5)6/h7-10,13H,18H2,1-6H3
InChIKeyPHGLQTUHOOGKJD-UHFFFAOYSA-N
XLogP3.71
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
CID 62496967
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
CID 114937757
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879
(4-iodophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114283080
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503111
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(2-chloro-6-fluorophenyl)methanamine
CID 43559922
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
CID 66117759
(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine (CID 43559856) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2noc(C(C)(C)C)n2)cc1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine?
The InChIKey is PHGLQTUHOOGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2,3)12-9-7-11(8-10-12)13(18)14-19-15(21-20-14)17(4,5)6/h7-10,13H,18H2,1-6H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 43559856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).