5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole

C28H18FN3O2S — CID 73442207

IUPAC5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1
InChIInChI=1S/C28H18FN3O2S/c29-21-13-11-19(12-14-21)24-15-22(34-32-24)16-33-27-25-23(18-7-3-1-4-8-18)17-35-28(25)31-26(30-27)20-9-5-2-6-10-20/h1-15,17H,16H2
InChIKeyXUBLGKDGHJELCG-UHFFFAOYSA-N
MW479.54 g/mol
LogP7.40
Rot. Bonds6

About 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole

5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (PubChem CID 73442207) has the molecular formula C28H18FN3O2S and a molecular weight of 479.54 g/mol. Its IUPAC name is 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
PubChem CID73442207
Molecular FormulaC28H18FN3O2S
Molecular Weight479.54 g/mol
Exact Mass479.11
IUPAC Name5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1
InChIInChI=1S/C28H18FN3O2S/c29-21-13-11-19(12-14-21)24-15-22(34-32-24)16-33-27-25-23(18-7-3-1-4-8-18)17-35-28(25)31-26(30-27)20-9-5-2-6-10-20/h1-15,17H,16H2
InChIKeyXUBLGKDGHJELCG-UHFFFAOYSA-N
XLogP7.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-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 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (CID 73442207) is 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is Fc1ccc(-c2cc(COc3nc(-c4ccccc4)nc4scc(-c5ccccc5)c34)on2)cc1.
What is the InChIKey of 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is XUBLGKDGHJELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O2S/c29-21-13-11-19(12-14-21)24-15-22(34-32-24)16-33-27-25-23(18-7-3-1-4-8-18)17-35-28(25)31-26(30-27)20-9-5-2-6-10-20/h1-15,17H,16H2.
What are the key properties of 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 479.54 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 73442207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).