(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione

C20H20N2O3 — CID 11772039

IUPAC(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
SMILESC[C@H]1O[C@@H](c2ccccc2)N2C(=O)CN(Cc3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C20H20N2O3/c1-14-18-19(24)21(12-15-8-4-2-5-9-15)13-17(23)22(18)20(25-14)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+,20+/m1/s1
InChIKeyNSLHHSKYBIXYQL-WNYOCNMUSA-N
MW336.39 g/mol
LogP2.34
Rot. Bonds3

About (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione

(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 11772039) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
PubChem CID11772039
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
SMILESC[C@H]1O[C@@H](c2ccccc2)N2C(=O)CN(Cc3ccccc3)C(=O)[C@H]12
InChIInChI=1S/C20H20N2O3/c1-14-18-19(24)21(12-15-8-4-2-5-9-15)13-17(23)22(18)20(25-14)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+,20+/m1/s1
InChIKeyNSLHHSKYBIXYQL-WNYOCNMUSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione with MolForge

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Related Compounds

(1R,3R,8aS)-7-benzyl-1-methyl-3-phenyl-5-sulfanylidene-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-8-one
CID 11256682
(3R,8aR)-7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
CID 101131885
2,8-dibenzyl-6-methyl-3,6,9,9a-tetrahydropyrazino[1,2-a]pyrazine-1,4,7-trione
CID 85064927
7-benzyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 44827800
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
(3S)-1,4,7-tribenzyl-3-methyl-10-prop-2-ynyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 177116281
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
(1R,2R,6S)-3-benzyl-2-phenyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 101377362
(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
(3S)-1-benzyl-4-[(2,6-difluoro-3-methylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423919

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione (CID 11772039) is (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione is C[C@H]1O[C@@H](c2ccccc2)N2C(=O)CN(Cc3ccccc3)C(=O)[C@H]12.
What is the InChIKey of (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is NSLHHSKYBIXYQL-WNYOCNMUSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-18-19(24)21(12-15-8-4-2-5-9-15)13-17(23)22(18)20(25-14)16-10-6-3-7-11-16/h2-11,14,18,20H,12-13H2,1H3/t14-,18+,20+/m1/s1.
What are the key properties of (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
(1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 336.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8aS)-7-benzyl-1-methyl-3-phenyl-1,3,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 11772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).