2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

C13H19BN2O4 — CID 172644636

IUPAC2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(OC3COC3)cn2)OC1(C)C
InChIInChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)10-5-16-11(6-15-10)18-9-7-17-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyDPLWIVZPLUEAGB-UHFFFAOYSA-N
MW278.12 g/mol
LogP0.55
Rot. Bonds3

About 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (PubChem CID 172644636) has the molecular formula C13H19BN2O4 and a molecular weight of 278.12 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
PubChem CID172644636
Molecular FormulaC13H19BN2O4
Molecular Weight278.12 g/mol
Exact Mass278.14
IUPAC Name2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
SMILESCC1(C)OB(c2cnc(OC3COC3)cn2)OC1(C)C
InChIInChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)10-5-16-11(6-15-10)18-9-7-17-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyDPLWIVZPLUEAGB-UHFFFAOYSA-N
XLogP0.55
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The IUPAC name of 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CID 172644636) is 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine.
What is the SMILES notation for 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The canonical SMILES for 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is CC1(C)OB(c2cnc(OC3COC3)cn2)OC1(C)C.
What is the InChIKey of 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
The InChIKey is DPLWIVZPLUEAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)10-5-16-11(6-15-10)18-9-7-17-8-9/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine?
2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine has a molecular weight of 278.12 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine is sourced from PubChem (CID 172644636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).