3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine

C14H27N3O2 — CID 116733392

IUPAC3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCCOC(c1noc(C(C(C)C)C(C)N)n1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-7-18-12(9(4)5)13-16-14(19-17-13)11(8(2)3)10(6)15/h8-12H,7,15H2,1-6H3
InChIKeyDJXMCTBIEPSHPQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.89
Rot. Bonds7

About 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine

3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (PubChem CID 116733392) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
PubChem CID116733392
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCCOC(c1noc(C(C(C)C)C(C)N)n1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-7-18-12(9(4)5)13-16-14(19-17-13)11(8(2)3)10(6)15/h8-12H,7,15H2,1-6H3
InChIKeyDJXMCTBIEPSHPQ-UHFFFAOYSA-N
XLogP2.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-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 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The IUPAC name of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (CID 116733392) is 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The canonical SMILES for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is CCOC(c1noc(C(C(C)C)C(C)N)n1)C(C)C.
What is the InChIKey of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The InChIKey is DJXMCTBIEPSHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-7-18-12(9(4)5)13-16-14(19-17-13)11(8(2)3)10(6)15/h8-12H,7,15H2,1-6H3.
What are the key properties of 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 116733392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).