(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

C13H19N5O2 — CID 154761210

IUPAC(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@H]2CN(Cc3nccn3C)C[C@@H](C)O2)n1
InChIInChI=1S/C13H19N5O2/c1-9-6-18(8-12-14-4-5-17(12)3)7-11(19-9)13-15-10(2)16-20-13/h4-5,9,11H,6-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyCLWDJVSIHJZUFY-MWLCHTKSSA-N
MW277.33 g/mol
LogP1.07
Rot. Bonds3

About (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine

(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 154761210) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID154761210
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESCc1noc([C@H]2CN(Cc3nccn3C)C[C@@H](C)O2)n1
InChIInChI=1S/C13H19N5O2/c1-9-6-18(8-12-14-4-5-17(12)3)7-11(19-9)13-15-10(2)16-20-13/h4-5,9,11H,6-8H2,1-3H3/t9-,11-/m1/s1
InChIKeyCLWDJVSIHJZUFY-MWLCHTKSSA-N
XLogP1.07
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,6R)-2-methyl-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine-4-carboxamide
CID 146082113
3,5-dimethyl-4-[[(1S,5R)-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 72875542
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457917
3,5-dimethyl-1-[1-[(1-methylimidazol-2-yl)methyl]azetidin-3-yl]pyrazole
CID 86775120
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537
(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369234
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4989848
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine (CID 154761210) is (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is Cc1noc([C@H]2CN(Cc3nccn3C)C[C@@H](C)O2)n1.
What is the InChIKey of (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is CLWDJVSIHJZUFY-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-6-18(8-12-14-4-5-17(12)3)7-11(19-9)13-15-10(2)16-20-13/h4-5,9,11H,6-8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine?
(2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 277.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 154761210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).