2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H22N4O3 — CID 104636166

IUPAC2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCc1nc(C(N)CN2CCOCC2)no1
InChIInChI=1S/C12H22N4O3/c1-9(2)18-8-11-14-12(15-19-11)10(13)7-16-3-5-17-6-4-16/h9-10H,3-8,13H2,1-2H3
InChIKeyJZQWQQZREUCPPC-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.33
Rot. Bonds6

About 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104636166) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104636166
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(C)OCc1nc(C(N)CN2CCOCC2)no1
InChIInChI=1S/C12H22N4O3/c1-9(2)18-8-11-14-12(15-19-11)10(13)7-16-3-5-17-6-4-16/h9-10H,3-8,13H2,1-2H3
InChIKeyJZQWQQZREUCPPC-UHFFFAOYSA-N
XLogP0.33
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 113435617
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635994
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636160
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636243
1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635682

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104636166) is 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(C)OCc1nc(C(N)CN2CCOCC2)no1.
What is the InChIKey of 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is JZQWQQZREUCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9(2)18-8-11-14-12(15-19-11)10(13)7-16-3-5-17-6-4-16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 270.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104636166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).