2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole

C19H13NOS — CID 69027067

IUPAC2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole
SMILESc1ccc(-c2cc(-c3ncco3)sc2-c2ccccc2)cc1
InChIInChI=1S/C19H13NOS/c1-3-7-14(8-4-1)16-13-17(19-20-11-12-21-19)22-18(16)15-9-5-2-6-10-15/h1-13H
InChIKeyHQRHDWWKWJEJQG-UHFFFAOYSA-N
MW303.39 g/mol
LogP5.74
Rot. Bonds3

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

2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole (PubChem CID 69027067) has the molecular formula C19H13NOS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole
PubChem CID69027067
Molecular FormulaC19H13NOS
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC Name2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole
SMILESc1ccc(-c2cc(-c3ncco3)sc2-c2ccccc2)cc1
InChIInChI=1S/C19H13NOS/c1-3-7-14(8-4-1)16-13-17(19-20-11-12-21-19)22-18(16)15-9-5-2-6-10-15/h1-13H
InChIKeyHQRHDWWKWJEJQG-UHFFFAOYSA-N
XLogP5.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.39
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole (CID 69027067) is 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole is c1ccc(-c2cc(-c3ncco3)sc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole?
The InChIKey is HQRHDWWKWJEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NOS/c1-3-7-14(8-4-1)16-13-17(19-20-11-12-21-19)22-18(16)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole?
2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole has a molecular weight of 303.39 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 69027067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).