N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

C8H15N3O — CID 62595587

IUPACN-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CC(C)C)no1
InChIInChI=1S/C8H15N3O/c1-4-9-8-10-7(11-12-8)5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyFTHXBYWZQIDEGN-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.70
Rot. Bonds4

About N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine

N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595587) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595587
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CC(C)C)no1
InChIInChI=1S/C8H15N3O/c1-4-9-8-10-7(11-12-8)5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyFTHXBYWZQIDEGN-UHFFFAOYSA-N
XLogP1.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 62595587) is N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is CCNc1nc(CC(C)C)no1.
What is the InChIKey of N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FTHXBYWZQIDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-9-8-10-7(11-12-8)5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 169.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).