N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

C12H20N4O2 — CID 95303561

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-16-4-5-17-10(8-16)6-13-7-11-14-12(18-15-11)9-2-3-9/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyKMYPIEVIRGWDEH-JTQLQIEISA-N
MW252.32 g/mol
LogP0.37
Rot. Bonds5

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95303561) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
PubChem CID95303561
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCO[C@@H](CNCc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-16-4-5-17-10(8-16)6-13-7-11-14-12(18-15-11)9-2-3-9/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyKMYPIEVIRGWDEH-JTQLQIEISA-N
XLogP0.37
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine with MolForge

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95300913
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115077179
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107911728
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (CID 95303561) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is CN1CCO[C@@H](CNCc2noc(C3CC3)n2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is KMYPIEVIRGWDEH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-4-5-17-10(8-16)6-13-7-11-14-12(18-15-11)9-2-3-9/h9-10,13H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95303561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).