N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C13H24N4O2 — CID 79657199

IUPACN-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C13H24N4O2/c1-9(2)17-6-7-18-10(8-17)11-15-12(19-16-11)13(3,4)14-5/h9-10,14H,6-8H2,1-5H3
InChIKeyGIVSIUVGJRTTEG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79657199) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79657199
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C2CN(C(C)C)CCO2)no1
InChIInChI=1S/C13H24N4O2/c1-9(2)17-6-7-18-10(8-17)11-15-12(19-16-11)13(3,4)14-5/h9-10,14H,6-8H2,1-5H3
InChIKeyGIVSIUVGJRTTEG-UHFFFAOYSA-N
XLogP1.31
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79657199) is N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)(C)c1nc(C2CN(C(C)C)CCO2)no1.
What is the InChIKey of N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is GIVSIUVGJRTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)17-6-7-18-10(8-17)11-15-12(19-16-11)13(3,4)14-5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79657199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).