1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol

C11H22N4O2 — CID 106962897

IUPAC1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3
InChIKeyHDVNAJVRZASANP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.95
Rot. Bonds6

About 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 106962897) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
PubChem CID106962897
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3
InChIKeyHDVNAJVRZASANP-UHFFFAOYSA-N
XLogP0.95
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol 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 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol (CID 106962897) is 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nnc(C(C)NC)o1.
What is the InChIKey of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is HDVNAJVRZASANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3.
What are the key properties of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106962897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).