2-dibenzothiophen-3-yl-1,3-benzoxazole

C19H11NOS — CID 23362623

IUPAC2-dibenzothiophen-3-yl-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4c(c3)sc3ccccc34)nc2c1
InChIInChI=1S/C19H11NOS/c1-4-8-17-13(5-1)14-10-9-12(11-18(14)22-17)19-20-15-6-2-3-7-16(15)21-19/h1-11H
InChIKeyJPXARPXHGKWRHP-UHFFFAOYSA-N
MW301.37 g/mol
LogP5.86
Rot. Bonds1

About 2-dibenzothiophen-3-yl-1,3-benzoxazole

2-dibenzothiophen-3-yl-1,3-benzoxazole (PubChem CID 23362623) has the molecular formula C19H11NOS and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-1,3-benzoxazole
PubChem CID23362623
Molecular FormulaC19H11NOS
Molecular Weight301.37 g/mol
Exact Mass301.06
IUPAC Name2-dibenzothiophen-3-yl-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4c(c3)sc3ccccc34)nc2c1
InChIInChI=1S/C19H11NOS/c1-4-8-17-13(5-1)14-10-9-12(11-18(14)22-17)19-20-15-6-2-3-7-16(15)21-19/h1-11H
InChIKeyJPXARPXHGKWRHP-UHFFFAOYSA-N
XLogP5.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.37
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-1,3-benzoxazole?
The IUPAC name of 2-dibenzothiophen-3-yl-1,3-benzoxazole (CID 23362623) is 2-dibenzothiophen-3-yl-1,3-benzoxazole.
What is the SMILES notation for 2-dibenzothiophen-3-yl-1,3-benzoxazole?
The canonical SMILES for 2-dibenzothiophen-3-yl-1,3-benzoxazole is c1ccc2oc(-c3ccc4c(c3)sc3ccccc34)nc2c1.
What is the InChIKey of 2-dibenzothiophen-3-yl-1,3-benzoxazole?
The InChIKey is JPXARPXHGKWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NOS/c1-4-8-17-13(5-1)14-10-9-12(11-18(14)22-17)19-20-15-6-2-3-7-16(15)21-19/h1-11H.
What are the key properties of 2-dibenzothiophen-3-yl-1,3-benzoxazole?
2-dibenzothiophen-3-yl-1,3-benzoxazole has a molecular weight of 301.37 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-1,3-benzoxazole is sourced from PubChem (CID 23362623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).