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

C25H23F2NO — CID 22083959

IUPAC2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1C
InChIInChI=1S/C25H23F2NO/c1-3-5-19-14-20(9-8-16(19)2)17-10-12-18(13-11-17)23-15-29-25(28-23)24-21(26)6-4-7-22(24)27/h4,6-14,23H,3,5,15H2,1-2H3
InChIKeyNEUHKEVUWAEVLW-UHFFFAOYSA-N
MW391.46 g/mol
LogP6.41
Rot. Bonds5

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

2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 22083959) has the molecular formula C25H23F2NO and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID22083959
Molecular FormulaC25H23F2NO
Molecular Weight391.46 g/mol
Exact Mass391.17
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1C
InChIInChI=1S/C25H23F2NO/c1-3-5-19-14-20(9-8-16(19)2)17-10-12-18(13-11-17)23-15-29-25(28-23)24-21(26)6-4-7-22(24)27/h4,6-14,23H,3,5,15H2,1-2H3
InChIKeyNEUHKEVUWAEVLW-UHFFFAOYSA-N
XLogP6.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
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
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 22083959) is 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is CCCc1cc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)ccc1C.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NEUHKEVUWAEVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO/c1-3-5-19-14-20(9-8-16(19)2)17-10-12-18(13-11-17)23-15-29-25(28-23)24-21(26)6-4-7-22(24)27/h4,6-14,23H,3,5,15H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 391.46 g/mol, XLogP of 6.41, 5 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-(4-methyl-3-propylphenyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22083959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).