(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C9H14N2O4 — CID 77059097

IUPAC(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOCC(=O)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C9H14N2O4/c1-14-6-8(12)10-2-3-11-7(4-10)5-15-9(11)13/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyICTZXMXUUXWOKV-SSDOTTSWSA-N
MW214.22 g/mol
LogP-0.70
Rot. Bonds2

About (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 77059097) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID77059097
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOCC(=O)N1CCN2C(=O)OC[C@H]2C1
InChIInChI=1S/C9H14N2O4/c1-14-6-8(12)10-2-3-11-7(4-10)5-15-9(11)13/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyICTZXMXUUXWOKV-SSDOTTSWSA-N
XLogP-0.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

(4aR,7aS)-6-acetyl-4-methyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775306
3H-Oxazolo[3,4-a]pyrazin-3-one,7-ethylhexahydro-
CID 287797
7-(2-fluoroethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130701706
7,8a-Dimethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 18685122
3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylic acid
CID 21847683
7-Methylhexahydro-3H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 45099429
7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 58919228
tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 59671544
(R)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 68452233
(S)-tert-Butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
CID 68455588
(R)-7-isopropyltetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one
CID 77059095
(8aR)-7-ethyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 92856796

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 77059097) is (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is COCC(=O)N1CCN2C(=O)OC[C@H]2C1.
What is the InChIKey of (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is ICTZXMXUUXWOKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-14-6-8(12)10-2-3-11-7(4-10)5-15-9(11)13/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 214.22 g/mol, XLogP of -0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 77059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).