methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate

C10H14N2O4 — CID 11075094

IUPACmethyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate
SMILESCOC(=O)C1=CC2(C)C(=O)NCC(C)N2O1
InChIInChI=1S/C10H14N2O4/c1-6-5-11-9(14)10(2)4-7(8(13)15-3)16-12(6)10/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeySSGNBTWGMSPVDY-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.43
Rot. Bonds1

About methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate

methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate (PubChem CID 11075094) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate
PubChem CID11075094
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate
SMILESCOC(=O)C1=CC2(C)C(=O)NCC(C)N2O1
InChIInChI=1S/C10H14N2O4/c1-6-5-11-9(14)10(2)4-7(8(13)15-3)16-12(6)10/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeySSGNBTWGMSPVDY-UHFFFAOYSA-N
XLogP-0.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate (CID 11075094) is methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate is COC(=O)C1=CC2(C)C(=O)NCC(C)N2O1.
What is the InChIKey of methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate?
The InChIKey is SSGNBTWGMSPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-5-11-9(14)10(2)4-7(8(13)15-3)16-12(6)10/h4,6H,5H2,1-3H3,(H,11,14).
What are the key properties of methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate?
methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate has a molecular weight of 226.23 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3a,7-dimethyl-4-oxo-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrazine-2-carboxylate is sourced from PubChem (CID 11075094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).