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

C16H13F2NO — CID 10912676

IUPAC4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
SMILESCN1CC(c2ccc(F)cc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H13F2NO/c1-19-10-15(11-2-6-13(17)7-3-11)16(20-19)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3
InChIKeyHYECUMBELHFSOE-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.71
Rot. Bonds2

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

4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole (PubChem CID 10912676) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
PubChem CID10912676
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
SMILESCN1CC(c2ccc(F)cc2)=C(c2ccc(F)cc2)O1
InChIInChI=1S/C16H13F2NO/c1-19-10-15(11-2-6-13(17)7-3-11)16(20-19)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3
InChIKeyHYECUMBELHFSOE-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole?
The IUPAC name of 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole (CID 10912676) is 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole is CN1CC(c2ccc(F)cc2)=C(c2ccc(F)cc2)O1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole?
The InChIKey is HYECUMBELHFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-19-10-15(11-2-6-13(17)7-3-11)16(20-19)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3.
What are the key properties of 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole?
4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole has a molecular weight of 273.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole is sourced from PubChem (CID 10912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).