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

C8H15N3O — CID 43102246

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(C(C)(C)C)no1
InChIInChI=1S/C8H15N3O/c1-5(9)6-10-7(11-12-6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyDPDGWAPICYFNTM-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.39
Rot. Bonds1

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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 43102246) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID43102246
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(C(C)(C)C)no1
InChIInChI=1S/C8H15N3O/c1-5(9)6-10-7(11-12-6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyDPDGWAPICYFNTM-UHFFFAOYSA-N
XLogP1.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 28063751
(3-Methyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CID 45791794
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 54594201
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 17604994
5-(Propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388483
(5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 17604983
2-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 17604997
3-(1-Methylethyl)-1,2,4-oxadiazole-5-methanamine
CID 28063156
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43109733

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 43102246) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine is CC(N)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is DPDGWAPICYFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(9)6-10-7(11-12-6)8(2,3)4/h5H,9H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 43102246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).