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

C25H23F2NO — CID 18520156

IUPAC2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1
InChIInChI=1S/C25H23F2NO/c1-15(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-16(3)29-25(28-24)23-21(26)5-4-6-22(23)27/h4-16,24H,1-3H3
InChIKeyOZPCCFHFAIULIN-UHFFFAOYSA-N
MW391.46 g/mol
LogP6.66
Rot. Bonds4

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

2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 18520156) has the molecular formula C25H23F2NO and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID18520156
Molecular FormulaC25H23F2NO
Molecular Weight391.46 g/mol
Exact Mass391.17
IUPAC Name2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)c1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1
InChIInChI=1S/C25H23F2NO/c1-15(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-16(3)29-25(28-24)23-21(26)5-4-6-22(23)27/h4-16,24H,1-3H3
InChIKeyOZPCCFHFAIULIN-UHFFFAOYSA-N
XLogP6.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 18520156) is 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is CC(C)c1ccc(-c2ccc(C3N=C(c4c(F)cccc4F)OC3C)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OZPCCFHFAIULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO/c1-15(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)24-16(3)29-25(28-24)23-21(26)5-4-6-22(23)27/h4-16,24H,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 391.46 g/mol, XLogP of 6.66, 4 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-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18520156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).