(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C10H18N2O2 — CID 130438371

IUPAC(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(C)(C)N1CCN2C(=O)OC[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVTQKQQCXHRRSHE-QMMMGPOBSA-N
MW198.27 g/mol
LogP0.92
Rot. Bonds

About (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 130438371) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID130438371
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC(C)(C)N1CCN2C(=O)OC[C@@H]2C1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVTQKQQCXHRRSHE-QMMMGPOBSA-N
XLogP0.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 130438371) is (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC(C)(C)N1CCN2C(=O)OC[C@@H]2C1.
What is the InChIKey of (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is VTQKQQCXHRRSHE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)11-4-5-12-8(6-11)7-14-9(12)13/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 130438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).