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

C8H15N3O — CID 62594682

IUPACN-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C8H15N3O/c1-5-6-9-7(12-11-6)10-8(2,3)4/h5H2,1-4H3,(H,9,10,11)
InChIKeyNRJDSPNVOBLPIR-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.84
Rot. Bonds2

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

N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 62594682) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID62594682
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCc1noc(NC(C)(C)C)n1
InChIInChI=1S/C8H15N3O/c1-5-6-9-7(12-11-6)10-8(2,3)4/h5H2,1-4H3,(H,9,10,11)
InChIKeyNRJDSPNVOBLPIR-UHFFFAOYSA-N
XLogP1.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.84
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-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine (CID 62594682) is N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine is CCc1noc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is NRJDSPNVOBLPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-6-9-7(12-11-6)10-8(2,3)4/h5H2,1-4H3,(H,9,10,11).
What are the key properties of N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).