2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C16H20N4O5 — CID 137145708

IUPAC2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1c(C(=O)N2CCO[C@@H](c3nc(C)cc(=O)[nH]3)C2)noc1C
InChIInChI=1S/C16H20N4O5/c1-9-6-13(21)18-15(17-9)12-7-20(4-5-24-12)16(22)14-11(8-23-3)10(2)25-19-14/h6,12H,4-5,7-8H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeyLYWJVTUVZKMOAU-GFCCVEGCSA-N
MW348.36 g/mol
LogP0.73
Rot. Bonds4

About 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137145708) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137145708
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCOCc1c(C(=O)N2CCO[C@@H](c3nc(C)cc(=O)[nH]3)C2)noc1C
InChIInChI=1S/C16H20N4O5/c1-9-6-13(21)18-15(17-9)12-7-20(4-5-24-12)16(22)14-11(8-23-3)10(2)25-19-14/h6,12H,4-5,7-8H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeyLYWJVTUVZKMOAU-GFCCVEGCSA-N
XLogP0.73
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 110119170
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844301
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 136793093
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136793086

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 137145708) is 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is COCc1c(C(=O)N2CCO[C@@H](c3nc(C)cc(=O)[nH]3)C2)noc1C.
What is the InChIKey of 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LYWJVTUVZKMOAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-9-6-13(21)18-15(17-9)12-7-20(4-5-24-12)16(22)14-11(8-23-3)10(2)25-19-14/h6,12H,4-5,7-8H2,1-3H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 348.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137145708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).