4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole

C11H8F5NO — CID 13268818

IUPAC4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)c(F)c(F)c(F)c2F)=N1
InChIInChI=1S/C11H8F5NO/c1-11(2)3-18-10(17-11)4-5(12)7(14)9(16)8(15)6(4)13/h3H2,1-2H3
InChIKeyOVYZBMJHKGWISL-UHFFFAOYSA-N
MW265.18 g/mol
LogP2.94
Rot. Bonds1

About 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole

4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole (PubChem CID 13268818) has the molecular formula C11H8F5NO and a molecular weight of 265.18 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
PubChem CID13268818
Molecular FormulaC11H8F5NO
Molecular Weight265.18 g/mol
Exact Mass265.05
IUPAC Name4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)c(F)c(F)c(F)c2F)=N1
InChIInChI=1S/C11H8F5NO/c1-11(2)3-18-10(17-11)4-5(12)7(14)9(16)8(15)6(4)13/h3H2,1-2H3
InChIKeyOVYZBMJHKGWISL-UHFFFAOYSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole (CID 13268818) is 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole is CC1(C)COC(c2c(F)c(F)c(F)c(F)c2F)=N1.
What is the InChIKey of 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole?
The InChIKey is OVYZBMJHKGWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO/c1-11(2)3-18-10(17-11)4-5(12)7(14)9(16)8(15)6(4)13/h3H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole has a molecular weight of 265.18 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole is sourced from PubChem (CID 13268818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).