N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

C11H19N3O3 — CID 75382013

About N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (PubChem CID 75382013) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
• PubChem CID: 75382013
• Molecular Formula: C11H19N3O3
• Molecular Weight: 241.29 g/mol
• Exact Mass: 241.14
• IUPAC Name: N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)N1CCN2C(=O)OCC2C1
• InChI: InChI=1S/C11H19N3O3/c1-11(2,3)12-9(15)13-4-5-14-8(6-13)7-17-10(14)16/h8H,4-7H2,1-3H3,(H,12,15)
• InChIKey: YZEHGMRCVJGPSE-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.29
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide (CID 75382013) is N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is CC(C)(C)NC(=O)N1CCN2C(=O)OCC2C1.

What is the InChIKey of N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?

The InChIKey is YZEHGMRCVJGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)12-9(15)13-4-5-14-8(6-13)7-17-10(14)16/h8H,4-7H2,1-3H3,(H,12,15).

What are the key properties of N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide?

N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75382013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).