(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C12H16N4O4 — CID 126438993

IUPAC(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCc1cc(CNC(=O)N2CCN3C(=O)OC[C@@H]3C2)on1
InChIInChI=1S/C12H16N4O4/c1-8-4-10(20-14-8)5-13-11(17)15-2-3-16-9(6-15)7-19-12(16)18/h4,9H,2-3,5-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyZZLOJXPNAPKPPD-VIFPVBQESA-N
MW280.28 g/mol
LogP0.33
Rot. Bonds2

About (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 126438993) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
PubChem CID126438993
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILESCc1cc(CNC(=O)N2CCN3C(=O)OC[C@@H]3C2)on1
InChIInChI=1S/C12H16N4O4/c1-8-4-10(20-14-8)5-13-11(17)15-2-3-16-9(6-15)7-19-12(16)18/h4,9H,2-3,5-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyZZLOJXPNAPKPPD-VIFPVBQESA-N
XLogP0.33
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The IUPAC name of (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 126438993) is (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is Cc1cc(CNC(=O)N2CCN3C(=O)OC[C@@H]3C2)on1.
What is the InChIKey of (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
The InChIKey is ZZLOJXPNAPKPPD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O4/c1-8-4-10(20-14-8)5-13-11(17)15-2-3-16-9(6-15)7-19-12(16)18/h4,9H,2-3,5-7H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?
(8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 126438993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).