2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole

C15H19F2NO — CID 67847861

IUPAC2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C15H19F2NO/c1-2-3-4-5-7-11-10-19-15(18-11)14-12(16)8-6-9-13(14)17/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeyTUSPVLLWICDJRP-UHFFFAOYSA-N
MW267.32 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole (PubChem CID 67847861) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole
PubChem CID67847861
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C15H19F2NO/c1-2-3-4-5-7-11-10-19-15(18-11)14-12(16)8-6-9-13(14)17/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeyTUSPVLLWICDJRP-UHFFFAOYSA-N
XLogP4.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole (CID 67847861) is 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole is CCCCCCC1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole?
The InChIKey is TUSPVLLWICDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-3-4-5-7-11-10-19-15(18-11)14-12(16)8-6-9-13(14)17/h6,8-9,11H,2-5,7,10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole has a molecular weight of 267.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-hexyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67847861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).