2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole

C25H15NOS — CID 67607725

IUPAC2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc2c1
InChIInChI=1S/C25H15NOS/c1-4-11-23-19(6-1)20-8-5-7-18(24(20)28-23)16-12-14-17(15-13-16)25-26-21-9-2-3-10-22(21)27-25/h1-15H
InChIKeyBLJXRDBAJWGJHT-UHFFFAOYSA-N
MW377.47 g/mol
LogP7.53
Rot. Bonds2

About 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole

2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole (PubChem CID 67607725) has the molecular formula C25H15NOS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole
PubChem CID67607725
Molecular FormulaC25H15NOS
Molecular Weight377.47 g/mol
Exact Mass377.09
IUPAC Name2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc2c1
InChIInChI=1S/C25H15NOS/c1-4-11-23-19(6-1)20-8-5-7-18(24(20)28-23)16-12-14-17(15-13-16)25-26-21-9-2-3-10-22(21)27-25/h1-15H
InChIKeyBLJXRDBAJWGJHT-UHFFFAOYSA-N
XLogP7.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-dibenzothiophen-4-ylphenyl)-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 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole (CID 67607725) is 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole is c1ccc2oc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc2c1.
What is the InChIKey of 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole?
The InChIKey is BLJXRDBAJWGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NOS/c1-4-11-23-19(6-1)20-8-5-7-18(24(20)28-23)16-12-14-17(15-13-16)25-26-21-9-2-3-10-22(21)27-25/h1-15H.
What are the key properties of 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole?
2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole has a molecular weight of 377.47 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 67607725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).