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

C13H25N3O2 — CID 116740555

IUPAC2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCOC(C)(CC)c1noc(C(CN)C(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-6-13(5,17-7-2)12-15-11(18-16-12)10(8-14)9(3)4/h9-10H,6-8,14H2,1-5H3
InChIKeySRLIGDPFIUBFJO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds7

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

2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 116740555) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID116740555
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCOC(C)(CC)c1noc(C(CN)C(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-6-13(5,17-7-2)12-15-11(18-16-12)10(8-14)9(3)4/h9-10H,6-8,14H2,1-5H3
InChIKeySRLIGDPFIUBFJO-UHFFFAOYSA-N
XLogP2.43
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 116740555) is 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CCOC(C)(CC)c1noc(C(CN)C(C)C)n1.
What is the InChIKey of 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is SRLIGDPFIUBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-13(5,17-7-2)12-15-11(18-16-12)10(8-14)9(3)4/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 116740555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).