(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C19H22N4O3 — CID 95208621

IUPAC(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1ccccc1-c1nc(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)c(C)o1
InChIInChI=1S/C19H22N4O3/c1-12-5-3-4-6-14(12)19-21-15(13(2)26-19)10-22-7-8-23-16(11-22)18(25)20-9-17(23)24/h3-6,16H,7-11H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyLLEUZTJUGHDIPK-INIZCTEOSA-N
MW354.41 g/mol
LogP1.10
Rot. Bonds3

About (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95208621) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95208621
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1ccccc1-c1nc(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)c(C)o1
InChIInChI=1S/C19H22N4O3/c1-12-5-3-4-6-14(12)19-21-15(13(2)26-19)10-22-7-8-23-16(11-22)18(25)20-9-17(23)24/h3-6,16H,7-11H2,1-2H3,(H,20,25)/t16-/m0/s1
InChIKeyLLEUZTJUGHDIPK-INIZCTEOSA-N
XLogP1.10
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95563604
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 171398245
(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95468866
4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084878
4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084969
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-(4-methylphenyl)-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74533082
4-(dipropylamino)-1-[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 159814123
2-[(2-butyl-1-benzothiophen-3-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 166590415
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50972250

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 95208621) is (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is Cc1ccccc1-c1nc(CN2CCN3C(=O)CNC(=O)[C@@H]3C2)c(C)o1.
What is the InChIKey of (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is LLEUZTJUGHDIPK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-3-4-6-14(12)19-21-15(13(2)26-19)10-22-7-8-23-16(11-22)18(25)20-9-17(23)24/h3-6,16H,7-11H2,1-2H3,(H,20,25)/t16-/m0/s1.
What are the key properties of (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 354.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95208621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).