2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole

C23H19F2NO — CID 18520167

IUPAC2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1
InChIInChI=1S/C23H19F2NO/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)22-15(2)27-23(26-22)21-19(24)4-3-5-20(21)25/h3-13,15,22H,1-2H3
InChIKeyLGNKFMQOUSIVNS-UHFFFAOYSA-N
MW363.41 g/mol
LogP5.85
Rot. Bonds3

About 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 18520167) has the molecular formula C23H19F2NO and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID18520167
Molecular FormulaC23H19F2NO
Molecular Weight363.41 g/mol
Exact Mass363.14
IUPAC Name2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1
InChIInChI=1S/C23H19F2NO/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)22-15(2)27-23(26-22)21-19(24)4-3-5-20(21)25/h3-13,15,22H,1-2H3
InChIKeyLGNKFMQOUSIVNS-UHFFFAOYSA-N
XLogP5.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.85
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)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 18520167) is 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is Cc1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LGNKFMQOUSIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)22-15(2)27-23(26-22)21-19(24)4-3-5-20(21)25/h3-13,15,22H,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 363.41 g/mol, XLogP of 5.85, 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)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).