3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

C17H25N5O3 — CID 129332131

IUPAC3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1nc(CN2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)oc1C
InChIInChI=1S/C17H25N5O3/c1-12-13(2)25-15(19-12)11-22-7-8-24-14(10-22)9-21(4)16-17(23)20(3)6-5-18-16/h5-6,14H,7-11H2,1-4H3/t14-/m0/s1
InChIKeyCWUCNCWPQWRORN-AWEZNQCLSA-N
MW347.42 g/mol
LogP0.72
Rot. Bonds5

About 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (PubChem CID 129332131) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
PubChem CID129332131
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
SMILESCc1nc(CN2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)oc1C
InChIInChI=1S/C17H25N5O3/c1-12-13(2)25-15(19-12)11-22-7-8-24-14(10-22)9-21(4)16-17(23)20(3)6-5-18-16/h5-6,14H,7-11H2,1-4H3/t14-/m0/s1
InChIKeyCWUCNCWPQWRORN-AWEZNQCLSA-N
XLogP0.72
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one with MolForge

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Related Compounds

3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129334222
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129334937
3-[[(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129339094
5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129344570
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333935
2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
CID 129002742
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
CID 95978918

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one (CID 129332131) is 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is Cc1nc(CN2CCO[C@@H](CN(C)c3nccn(C)c3=O)C2)oc1C.
What is the InChIKey of 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
The InChIKey is CWUCNCWPQWRORN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-13(2)25-15(19-12)11-22-7-8-24-14(10-22)9-21(4)16-17(23)20(3)6-5-18-16/h5-6,14H,7-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129332131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).