2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide

C15H25N3O3 — CID 164640849

IUPAC2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN2C(=O)OC[C@H]2C1)NCC1CCCCC1
InChIInChI=1S/C15H25N3O3/c19-14(16-8-12-4-2-1-3-5-12)10-17-6-7-18-13(9-17)11-21-15(18)20/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1
InChIKeyRAEPVMXYRKFPRP-CYBMUJFWSA-N
MW295.38 g/mol
LogP0.82
Rot. Bonds4

About 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide

2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide (PubChem CID 164640849) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
PubChem CID164640849
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide
SMILESO=C(CN1CCN2C(=O)OC[C@H]2C1)NCC1CCCCC1
InChIInChI=1S/C15H25N3O3/c19-14(16-8-12-4-2-1-3-5-12)10-17-6-7-18-13(9-17)11-21-15(18)20/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1
InChIKeyRAEPVMXYRKFPRP-CYBMUJFWSA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide with MolForge

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Related Compounds

2-[(4aR,7aS)-6-(cyclohexylmethyl)-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
CID 56775361
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 45214983
(4S)-N-(2-amino-2-oxoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851751
(4S)-3-(cyclohexylmethyl)-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851756
(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851757
(4S)-3-(cyclohexylmethyl)-N-(2-methoxyethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851781
(4S)-3-(cyclohexylmethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851782
(4S)-3-(cyclohexylmethyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851783
(4S)-3-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851786
(4S)-N-(2-aminoethyl)-3-(cyclohexylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851792
3-[2-(4-Pyrrolidin-2-ylpiperidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 63257276

Frequently Asked Questions

What is the IUPAC name of 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide (CID 164640849) is 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide is O=C(CN1CCN2C(=O)OC[C@H]2C1)NCC1CCCCC1.
What is the InChIKey of 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide?
The InChIKey is RAEPVMXYRKFPRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(16-8-12-4-2-1-3-5-12)10-17-6-7-18-13(9-17)11-21-15(18)20/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1.
What are the key properties of 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide?
2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aR)-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl]-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 164640849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).