1,2-benzoxazole;bis(1,3-benzoxazole)

C21H15N3O3 — CID 121484823

IUPAC1,2-benzoxazole;bis(1,3-benzoxazole)
SMILESc1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1
InChIInChI=1S/3C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h3*1-5H
InChIKeyHSAQEPCIUBQPHQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.48
Rot. Bonds

About 1,2-benzoxazole;bis(1,3-benzoxazole)

1,2-benzoxazole;bis(1,3-benzoxazole) (PubChem CID 121484823) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1,2-benzoxazole;bis(1,3-benzoxazole).

Molecular Properties

Compound Name1,2-benzoxazole;bis(1,3-benzoxazole)
PubChem CID121484823
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name1,2-benzoxazole;bis(1,3-benzoxazole)
SMILESc1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1
InChIInChI=1S/3C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h3*1-5H
InChIKeyHSAQEPCIUBQPHQ-UHFFFAOYSA-N
XLogP5.48
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-benzoxazole;bis(1,3-benzoxazole) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;bis(1,3-benzoxazole)?
The IUPAC name of 1,2-benzoxazole;bis(1,3-benzoxazole) (CID 121484823) is 1,2-benzoxazole;bis(1,3-benzoxazole).
What is the SMILES notation for 1,2-benzoxazole;bis(1,3-benzoxazole)?
The canonical SMILES for 1,2-benzoxazole;bis(1,3-benzoxazole) is c1ccc2ocnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.
What is the InChIKey of 1,2-benzoxazole;bis(1,3-benzoxazole)?
The InChIKey is HSAQEPCIUBQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H5NO/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7/h3*1-5H.
What are the key properties of 1,2-benzoxazole;bis(1,3-benzoxazole)?
1,2-benzoxazole;bis(1,3-benzoxazole) has a molecular weight of 357.37 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;bis(1,3-benzoxazole) is sourced from PubChem (CID 121484823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).