[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone

C15H20N4O3 — CID 133141454

IUPAC[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1
InChIInChI=1S/C15H20N4O3/c20-15(12-2-1-6-21-12)18-9-11-13(10-18)22-7-5-19(11)14-8-16-3-4-17-14/h3-4,8,11-13H,1-2,5-7,9-10H2/t11-,12?,13+/m1/s1
InChIKeyVOTIYKZPOAOBHK-YPHAAILGSA-N
MW304.35 g/mol
LogP0.07
Rot. Bonds2

About [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone

[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone (PubChem CID 133141454) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone
PubChem CID133141454
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1
InChIInChI=1S/C15H20N4O3/c20-15(12-2-1-6-21-12)18-9-11-13(10-18)22-7-5-19(11)14-8-16-3-4-17-14/h3-4,8,11-13H,1-2,5-7,9-10H2/t11-,12?,13+/m1/s1
InChIKeyVOTIYKZPOAOBHK-YPHAAILGSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone (CID 133141454) is [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1.
What is the InChIKey of [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone?
The InChIKey is VOTIYKZPOAOBHK-YPHAAILGSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15(12-2-1-6-21-12)18-9-11-13(10-18)22-7-5-19(11)14-8-16-3-4-17-14/h3-4,8,11-13H,1-2,5-7,9-10H2/t11-,12?,13+/m1/s1.
What are the key properties of [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone?
[(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-4-pyrazin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 133141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).