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

C21H13F2NOS — CID 126495206

IUPAC4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3cccs3)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C21H13F2NOS/c22-16-6-1-4-14(12-16)20-21(15-5-2-7-17(23)13-15)25-19(24-20)10-9-18-8-3-11-26-18/h1-13H/b10-9+
InChIKeyYXKNEBHUOXJEJZ-MDZDMXLPSA-N
MW365.40 g/mol
LogP6.52
Rot. Bonds4

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

4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole (PubChem CID 126495206) 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-2-ylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
PubChem CID126495206
Molecular FormulaC21H13F2NOS
Molecular Weight365.40 g/mol
Exact Mass365.07
IUPAC Name4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(/C=C/c3cccs3)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C21H13F2NOS/c22-16-6-1-4-14(12-16)20-21(15-5-2-7-17(23)13-15)25-19(24-20)10-9-18-8-3-11-26-18/h1-13H/b10-9+
InChIKeyYXKNEBHUOXJEJZ-MDZDMXLPSA-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-2-ylethenyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole (CID 126495206) is 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole is Fc1cccc(-c2nc(/C=C/c3cccs3)oc2-c2cccc(F)c2)c1.
What is the InChIKey of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
The InChIKey is YXKNEBHUOXJEJZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H13F2NOS/c22-16-6-1-4-14(12-16)20-21(15-5-2-7-17(23)13-15)25-19(24-20)10-9-18-8-3-11-26-18/h1-13H/b10-9+.
What are the key properties of 4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole?
4,5-bis(3-fluorophenyl)-2-[(E)-2-thiophen-2-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-2-ylethenyl]-1,3-oxazole is sourced from PubChem (CID 126495206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).