4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole

C21H13F2NOS — CID 126495292

IUPAC4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3ccsc3)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C21H13F2NOS/c22-17-5-1-3-15(11-17)20-21(16-4-2-6-18(23)12-16)25-19(24-20)8-7-14-9-10-26-13-14/h1-13H/b8-7+
InChIKeyVEONHJHOPYSEBU-BQYQJAHWSA-N
MW365.40 g/mol
LogP6.52
Rot. Bonds4

About 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole

4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole (PubChem CID 126495292) has the molecular formula C21H13F2NOS and a molecular weight of 365.40 g/mol. Its IUPAC name is 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
PubChem CID126495292
Molecular FormulaC21H13F2NOS
Molecular Weight365.40 g/mol
Exact Mass365.07
IUPAC Name4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3ccsc3)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C21H13F2NOS/c22-17-5-1-3-15(11-17)20-21(16-4-2-6-18(23)12-16)25-19(24-20)8-7-14-9-10-26-13-14/h1-13H/b8-7+
InChIKeyVEONHJHOPYSEBU-BQYQJAHWSA-N
XLogP6.52
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole (CID 126495292) is 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole is Fc1cccc(-c2nc(/C=C/c3ccsc3)oc2-c2cccc(F)c2)c1.
What is the InChIKey of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
The InChIKey is VEONHJHOPYSEBU-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H13F2NOS/c22-17-5-1-3-15(11-17)20-21(16-4-2-6-18(23)12-16)25-19(24-20)8-7-14-9-10-26-13-14/h1-13H/b8-7+.
What are the key properties of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole?
4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole has a molecular weight of 365.40 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-3-ylethenyl]-1,3-oxazole is sourced from PubChem (CID 126495292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).