N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

C15H26N4O4 — CID 22957196

IUPACN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21)
InChIKeyDVDNPOSROSTKGX-UHFFFAOYSA-N
MW326.40 g/mol
LogP-0.33
Rot. Bonds4

About N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (PubChem CID 22957196) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
PubChem CID22957196
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC NameN-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1
InChIInChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21)
InChIKeyDVDNPOSROSTKGX-UHFFFAOYSA-N
XLogP-0.33
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The IUPAC name of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (CID 22957196) is N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.
What is the SMILES notation for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The canonical SMILES for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is CCC(NC(=O)C(C)(C)N)C(=O)N1CCN2C(=O)OCC2(C)C1.
What is the InChIKey of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The InChIKey is DVDNPOSROSTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-5-10(17-12(21)14(2,3)16)11(20)18-6-7-19-13(22)23-9-15(19,4)8-18/h10H,5-9,16H2,1-4H3,(H,17,21).
What are the key properties of N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide has a molecular weight of 326.40 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8a-methyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-7-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 22957196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).