1,3-benzoxazole;quinoxaline

C15H11N3O — CID 67655660

IUPAC1,3-benzoxazole;quinoxaline
SMILESc1ccc2nccnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C8H6N2.C7H5NO/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H
InChIKeyGGNRBRUYUDHWFO-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.46
Rot. Bonds

About 1,3-benzoxazole;quinoxaline

1,3-benzoxazole;quinoxaline (PubChem CID 67655660) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,3-benzoxazole;quinoxaline.

Molecular Properties

Compound Name1,3-benzoxazole;quinoxaline
PubChem CID67655660
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1,3-benzoxazole;quinoxaline
SMILESc1ccc2nccnc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C8H6N2.C7H5NO/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H
InChIKeyGGNRBRUYUDHWFO-UHFFFAOYSA-N
XLogP3.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;quinoxaline?
The IUPAC name of 1,3-benzoxazole;quinoxaline (CID 67655660) is 1,3-benzoxazole;quinoxaline.
What is the SMILES notation for 1,3-benzoxazole;quinoxaline?
The canonical SMILES for 1,3-benzoxazole;quinoxaline is c1ccc2nccnc2c1.c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazole;quinoxaline?
The InChIKey is GGNRBRUYUDHWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C7H5NO/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7/h1-6H;1-5H.
What are the key properties of 1,3-benzoxazole;quinoxaline?
1,3-benzoxazole;quinoxaline has a molecular weight of 249.27 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;quinoxaline is sourced from PubChem (CID 67655660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).