1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

C12H21N3O3 — CID 113435511

IUPAC1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2(C)CCCO2)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)16-7-9(13)10-14-11(18-15-10)12(3)5-4-6-17-12/h8-9H,4-7,13H2,1-3H3
InChIKeyXPZIAJWJQIRFEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.52
Rot. Bonds5

About 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine

1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (PubChem CID 113435511) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
PubChem CID113435511
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
SMILESCC(C)OCC(N)c1noc(C2(C)CCCO2)n1
InChIInChI=1S/C12H21N3O3/c1-8(2)16-7-9(13)10-14-11(18-15-10)12(3)5-4-6-17-12/h8-9H,4-7,13H2,1-3H3
InChIKeyXPZIAJWJQIRFEB-UHFFFAOYSA-N
XLogP1.52
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The IUPAC name of 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine (CID 113435511) is 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is CC(C)OCC(N)c1noc(C2(C)CCCO2)n1.
What is the InChIKey of 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
The InChIKey is XPZIAJWJQIRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)16-7-9(13)10-14-11(18-15-10)12(3)5-4-6-17-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine?
1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 113435511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).