methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate

C8H12N2O4 — CID 118353909

IUPACmethyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
SMILESCOC(=O)C1NCCN2C(=O)OCC12
InChIInChI=1S/C8H12N2O4/c1-13-7(11)6-5-4-14-8(12)10(5)3-2-9-6/h5-6,9H,2-4H2,1H3
InChIKeyNIFMBWBBUVNFCQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.05
Rot. Bonds1

About methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate

methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate (PubChem CID 118353909) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
PubChem CID118353909
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
SMILESCOC(=O)C1NCCN2C(=O)OCC12
InChIInChI=1S/C8H12N2O4/c1-13-7(11)6-5-4-14-8(12)10(5)3-2-9-6/h5-6,9H,2-4H2,1H3
InChIKeyNIFMBWBBUVNFCQ-UHFFFAOYSA-N
XLogP-1.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate with MolForge

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Related Compounds

6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 18722348
(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione
CID 59080518
N-[(2R)-1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
CID 59959654
methyl (8S,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118353910
methyl (8R,8aR)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 118359742
methyl (8R,8aR)-7-hydroxy-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 137382795
methyl (8R,8aS)-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate
CID 140912841
Diethyl 2-[4-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanedioate
CID 142674474
1-O-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 152240329
2-[(3S,6S)-6-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyrazin-3-yl]acetic acid
CID 154461945
(8aR)-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazine-1,3-dione;methane
CID 158421177
1-O-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate
CID 165087485

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The IUPAC name of methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate (CID 118353909) is methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate.
What is the SMILES notation for methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The canonical SMILES for methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate is COC(=O)C1NCCN2C(=O)OCC12.
What is the InChIKey of methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
The InChIKey is NIFMBWBBUVNFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-13-7(11)6-5-4-14-8(12)10(5)3-2-9-6/h5-6,9H,2-4H2,1H3.
What are the key properties of methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate?
methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate has a molecular weight of 200.19 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine-8-carboxylate is sourced from PubChem (CID 118353909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).