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

C15H10ClF2NO — CID 14853207

IUPAC4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccccc2Cl)CO1
InChIInChI=1S/C15H10ClF2NO/c16-10-5-2-1-4-9(10)13-8-20-15(19-13)14-11(17)6-3-7-12(14)18/h1-7,13H,8H2
InChIKeyIJFDGARITQKLGZ-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.14
Rot. Bonds2

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

4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853207) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853207
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccccc2Cl)CO1
InChIInChI=1S/C15H10ClF2NO/c16-10-5-2-1-4-9(10)13-8-20-15(19-13)14-11(17)6-3-7-12(14)18/h1-7,13H,8H2
InChIKeyIJFDGARITQKLGZ-UHFFFAOYSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853207) is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccccc2Cl)CO1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is IJFDGARITQKLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-10-5-2-1-4-9(10)13-8-20-15(19-13)14-11(17)6-3-7-12(14)18/h1-7,13H,8H2.
What are the key properties of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 293.70 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).