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

C25H17F2NO — CID 19080122

IUPAC2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc4ccccc4c3)cc2)CO1
InChIInChI=1S/C25H17F2NO/c26-21-6-3-7-22(27)24(21)25-28-23(15-29-25)18-11-8-17(9-12-18)20-13-10-16-4-1-2-5-19(16)14-20/h1-14,23H,15H2
InChIKeyQKLDFPYHQNYBJZ-UHFFFAOYSA-N
MW385.41 g/mol
LogP6.30
Rot. Bonds3

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

2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19080122) has the molecular formula C25H17F2NO and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID19080122
Molecular FormulaC25H17F2NO
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC Name2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3ccc4ccccc4c3)cc2)CO1
InChIInChI=1S/C25H17F2NO/c26-21-6-3-7-22(27)24(21)25-28-23(15-29-25)18-11-8-17(9-12-18)20-13-10-16-4-1-2-5-19(16)14-20/h1-14,23H,15H2
InChIKeyQKLDFPYHQNYBJZ-UHFFFAOYSA-N
XLogP6.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 56.30
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-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole (CID 19080122) is 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc4ccccc4c3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QKLDFPYHQNYBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO/c26-21-6-3-7-22(27)24(21)25-28-23(15-29-25)18-11-8-17(9-12-18)20-13-10-16-4-1-2-5-19(16)14-20/h1-14,23H,15H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 385.41 g/mol, XLogP of 6.30, 3 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-naphthalen-2-ylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19080122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).