Bor-oxazolidine

C3H7BN — CID 68724400

IUPAC—
SMILES[B]1CCNC1
InChIInChI=1S/C3H7BN/c1-2-5-3-4-1/h5H,1-3H2
InChIKeyDHNCMGNQYFUFMN-UHFFFAOYSA-N
MW67.91 g/mol
LogP-0.33
Rot. Bonds

About Bor-oxazolidine

Bor-oxazolidine (PubChem CID 68724400) has the molecular formula C3H7BN and a molecular weight of 67.91 g/mol.

Molecular Properties

Compound NameBor-oxazolidine
PubChem CID68724400
Molecular FormulaC3H7BN
Molecular Weight67.91 g/mol
Exact Mass68.07
IUPAC Name—
SMILES[B]1CCNC1
InChIInChI=1S/C3H7BN/c1-2-5-3-4-1/h5H,1-3H2
InChIKeyDHNCMGNQYFUFMN-UHFFFAOYSA-N
XLogP-0.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.91
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 Bor-oxazolidine?
The IUPAC name of Bor-oxazolidine (CID 68724400) is not available.
What is the SMILES notation for Bor-oxazolidine?
The canonical SMILES for Bor-oxazolidine is [B]1CCNC1.
What is the InChIKey of Bor-oxazolidine?
The InChIKey is DHNCMGNQYFUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BN/c1-2-5-3-4-1/h5H,1-3H2.
What are the key properties of Bor-oxazolidine?
Bor-oxazolidine has a molecular weight of 67.91 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Bor-oxazolidine is sourced from PubChem (CID 68724400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).