1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C9H15N3O3 — CID 65353537

IUPAC1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2COCCO2)no1
InChIInChI=1S/C9H15N3O3/c1-6(10-2)9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7,10H,3-5H2,1-2H3
InChIKeyASTPLCXYIMCJTE-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.44
Rot. Bonds3

About 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 65353537) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID65353537
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2COCCO2)no1
InChIInChI=1S/C9H15N3O3/c1-6(10-2)9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7,10H,3-5H2,1-2H3
InChIKeyASTPLCXYIMCJTE-UHFFFAOYSA-N
XLogP0.44
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 65351602
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65351798
N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
CID 65351537
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 114286517
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723
N-ethyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329027
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 65351655
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 65353164
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115826071
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65351704

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 65353537) is 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNC(C)c1nc(C2COCCO2)no1.
What is the InChIKey of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is ASTPLCXYIMCJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(10-2)9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 213.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 65353537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).