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

C16H13F2NO — CID 14853217

IUPAC2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C16H13F2NO/c1-10-5-7-11(8-6-10)14-9-20-16(19-14)15-12(17)3-2-4-13(15)18/h2-8,14H,9H2,1H3
InChIKeyFOVUAXCCOQFIFG-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.79
Rot. Bonds2

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

2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853217) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853217
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C16H13F2NO/c1-10-5-7-11(8-6-10)14-9-20-16(19-14)15-12(17)3-2-4-13(15)18/h2-8,14H,9H2,1H3
InChIKeyFOVUAXCCOQFIFG-UHFFFAOYSA-N
XLogP3.79
TPSA21.59 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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole (CID 14853217) is 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is FOVUAXCCOQFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-10-5-7-11(8-6-10)14-9-20-16(19-14)15-12(17)3-2-4-13(15)18/h2-8,14H,9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 273.28 g/mol, XLogP of 3.79, 2 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-(4-methylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).