2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole

C15H8ClF2NO — CID 21408855

IUPAC2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(Cl)oc1-c1ccccc1F
InChIInChI=1S/C15H8ClF2NO/c16-15-19-13(9-5-1-3-7-11(9)17)14(20-15)10-6-2-4-8-12(10)18/h1-8H
InChIKeyQWGPRFLVRHNIJI-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.94
Rot. Bonds2

About 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole

2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole (PubChem CID 21408855) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole
PubChem CID21408855
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole
SMILESFc1ccccc1-c1nc(Cl)oc1-c1ccccc1F
InChIInChI=1S/C15H8ClF2NO/c16-15-19-13(9-5-1-3-7-11(9)17)14(20-15)10-6-2-4-8-12(10)18/h1-8H
InChIKeyQWGPRFLVRHNIJI-UHFFFAOYSA-N
XLogP4.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole (CID 21408855) is 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole is Fc1ccccc1-c1nc(Cl)oc1-c1ccccc1F.
What is the InChIKey of 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole?
The InChIKey is QWGPRFLVRHNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-15-19-13(9-5-1-3-7-11(9)17)14(20-15)10-6-2-4-8-12(10)18/h1-8H.
What are the key properties of 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole?
2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole has a molecular weight of 291.68 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-bis(2-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 21408855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).