N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H19N3O2 — CID 80690087

IUPACN-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(12-3)9-13-10(14-16-9)11(2)6-4-5-7-15-11/h8,12H,4-7H2,1-3H3
InChIKeyFORUTPNNPKEJPV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 80690087) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID80690087
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-8(12-3)9-13-10(14-16-9)11(2)6-4-5-7-15-11/h8,12H,4-7H2,1-3H3
InChIKeyFORUTPNNPKEJPV-UHFFFAOYSA-N
XLogP1.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 80690087) is N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(C)c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is FORUTPNNPKEJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(12-3)9-13-10(14-16-9)11(2)6-4-5-7-15-11/h8,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 80690087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).