N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine

C7H13N3O — CID 62594681

IUPACN-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C7H13N3O/c1-5-8-6(11-10-5)9-7(2,3)4/h1-4H3,(H,8,9,10)
InChIKeyOACJSESDEXKNLS-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.59
Rot. Bonds1

About N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine

N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594681) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID62594681
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C7H13N3O/c1-5-8-6(11-10-5)9-7(2,3)4/h1-4H3,(H,8,9,10)
InChIKeyOACJSESDEXKNLS-UHFFFAOYSA-N
XLogP1.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine (CID 62594681) is N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is OACJSESDEXKNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-8-6(11-10-5)9-7(2,3)4/h1-4H3,(H,8,9,10).
What are the key properties of N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).