4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole

C23H15NOS — CID 156552916

IUPAC4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole
SMILESc1ccc(-c2ncoc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H15NOS/c1-3-9-16(10-4-1)20-21(25-15-24-20)23-19-14-8-7-13-18(19)22(26-23)17-11-5-2-6-12-17/h1-15H
InChIKeyPKXYIXSLIQTXGP-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.89
Rot. Bonds3

About 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole

4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole (PubChem CID 156552916) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole
PubChem CID156552916
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole
SMILESc1ccc(-c2ncoc2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H15NOS/c1-3-9-16(10-4-1)20-21(25-15-24-20)23-19-14-8-7-13-18(19)22(26-23)17-11-5-2-6-12-17/h1-15H
InChIKeyPKXYIXSLIQTXGP-UHFFFAOYSA-N
XLogP6.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole 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 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole?
The IUPAC name of 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole (CID 156552916) is 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole?
The canonical SMILES for 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole is c1ccc(-c2ncoc2-c2sc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole?
The InChIKey is PKXYIXSLIQTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c1-3-9-16(10-4-1)20-21(25-15-24-20)23-19-14-8-7-13-18(19)22(26-23)17-11-5-2-6-12-17/h1-15H.
What are the key properties of 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole?
4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole has a molecular weight of 353.45 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole is sourced from PubChem (CID 156552916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).