[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C9H17N3O2 — CID 116740577

IUPAC[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(C)(CC)c1noc(CN)n1
InChIInChI=1S/C9H17N3O2/c1-4-9(3,13-5-2)8-11-7(6-10)14-12-8/h4-6,10H2,1-3H3
InChIKeySGRZXCJFKUUYJM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.19
Rot. Bonds5

About [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 116740577) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID116740577
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCCOC(C)(CC)c1noc(CN)n1
InChIInChI=1S/C9H17N3O2/c1-4-9(3,13-5-2)8-11-7(6-10)14-12-8/h4-6,10H2,1-3H3
InChIKeySGRZXCJFKUUYJM-UHFFFAOYSA-N
XLogP1.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 116740710
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116743989
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116781585
3-[2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]hexan-1-amine
CID 116740805
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780226
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116781044
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
3-(2-ethoxybutan-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778204
3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116740597
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 116740577) is [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is CCOC(C)(CC)c1noc(CN)n1.
What is the InChIKey of [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is SGRZXCJFKUUYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-9(3,13-5-2)8-11-7(6-10)14-12-8/h4-6,10H2,1-3H3.
What are the key properties of [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 199.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 116740577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).