2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole

C26H14N2O2S — CID 146513469

IUPAC2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4c3oc3c(-c5nc6ccccc6s5)cccc34)nc2c1
InChIInChI=1S/C26H14N2O2S/c1-3-13-21-19(11-1)27-25(29-21)17-9-5-7-15-16-8-6-10-18(24(16)30-23(15)17)26-28-20-12-2-4-14-22(20)31-26/h1-14H
InChIKeyDLKFIZCLNAPZAU-UHFFFAOYSA-N
MW418.48 g/mol
LogP7.67
Rot. Bonds2

About 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole (PubChem CID 146513469) has the molecular formula C26H14N2O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
PubChem CID146513469
Molecular FormulaC26H14N2O2S
Molecular Weight418.48 g/mol
Exact Mass418.08
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4c3oc3c(-c5nc6ccccc6s5)cccc34)nc2c1
InChIInChI=1S/C26H14N2O2S/c1-3-13-21-19(11-1)27-25(29-21)17-9-5-7-15-16-8-6-10-18(24(16)30-23(15)17)26-28-20-12-2-4-14-22(20)31-26/h1-14H
InChIKeyDLKFIZCLNAPZAU-UHFFFAOYSA-N
XLogP7.67
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole (CID 146513469) is 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole is c1ccc2oc(-c3cccc4c3oc3c(-c5nc6ccccc6s5)cccc34)nc2c1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole?
The InChIKey is DLKFIZCLNAPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O2S/c1-3-13-21-19(11-1)27-25(29-21)17-9-5-7-15-16-8-6-10-18(24(16)30-23(15)17)26-28-20-12-2-4-14-22(20)31-26/h1-14H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole has a molecular weight of 418.48 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 146513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).