7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C15H19N3O4 — CID 121495469

IUPAC7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC3C2)c(C)c1C
InChIInChI=1S/C15H19N3O4/c1-8-9(2)12(13(19)16-10(8)3)14(20)17-4-5-18-11(6-17)7-22-15(18)21/h11H,4-7H2,1-3H3,(H,16,19)
InChIKeyCOYWCSZKOYLRPI-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.58
Rot. Bonds1

About 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 121495469) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID121495469
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC3C2)c(C)c1C
InChIInChI=1S/C15H19N3O4/c1-8-9(2)12(13(19)16-10(8)3)14(20)17-4-5-18-11(6-17)7-22-15(18)21/h11H,4-7H2,1-3H3,(H,16,19)
InChIKeyCOYWCSZKOYLRPI-UHFFFAOYSA-N
XLogP0.58
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119067289
(8aS)-7-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126453991
3-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazine-1-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
CID 126451376
7-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 118762675
(8aS)-7-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 125159646
(8aS)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 131632861
7-[3-(3-methylphenyl)benzoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131929939
(8aR)-7-(2,3,4-trimethoxybenzoyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 125177866
3-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octane-3-carbonyl]-4,5,6-trimethyl-1H-pyridin-2-one
CID 121494382
7-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 155494740
4,5,6-trimethyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 134699227
(8aS)-7-(2,8-dimethylquinoline-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126430589

Frequently Asked Questions

What is the IUPAC name of 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 121495469) is 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is Cc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC3C2)c(C)c1C.
What is the InChIKey of 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is COYWCSZKOYLRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8-9(2)12(13(19)16-10(8)3)14(20)17-4-5-18-11(6-17)7-22-15(18)21/h11H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 305.33 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 121495469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).