2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole

C17H15F2NO — CID 76323365

IUPAC2-(2,6-difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=CC(=C(C=C1)C2COC(=N2)C3=C(C=CC=C3F)F)C
InChIInChI=1S/C17H15F2NO/c1-10-6-7-12(11(2)8-10)15-9-21-17(20-15)16-13(18)4-3-5-14(16)19/h3-8,15H,9H2,1-2H3
InChIKeyBUDSHKNXNJDUFO-UHFFFAOYSA-N
MW287.30 g/mol
LogP4.10
Rot. Bonds2

About 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 76323365) has the molecular formula C17H15F2NO and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID76323365
Molecular FormulaC17H15F2NO
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC Name2-(2,6-difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC1=CC(=C(C=C1)C2COC(=N2)C3=C(C=CC=C3F)F)C
InChIInChI=1S/C17H15F2NO/c1-10-6-7-12(11(2)8-10)15-9-21-17(20-15)16-13(18)4-3-5-14(16)19/h3-8,15H,9H2,1-2H3
InChIKeyBUDSHKNXNJDUFO-UHFFFAOYSA-N
XLogP4.10
TPSA21.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity390

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole (CID 76323365) is 2-(2,6-difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole is CC1=CC(=C(C=C1)C2COC(=N2)C3=C(C=CC=C3F)F)C.
What is the InChIKey of 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BUDSHKNXNJDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-10-6-7-12(11(2)8-10)15-9-21-17(20-15)16-13(18)4-3-5-14(16)19/h3-8,15H,9H2,1-2H3.
What are the key properties of 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 287.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-Difluorophenyl)-4-(2,4-dimethylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 76323365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).