1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine

C24H20F2N2O2 — CID 139785535

IUPAC1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine
SMILESCC(=NOCc1ccccc1)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C24H20F2N2O2/c1-16(28-30-14-17-6-3-2-4-7-17)18-10-12-19(13-11-18)22-15-29-24(27-22)23-20(25)8-5-9-21(23)26/h2-13,22H,14-15H2,1H3
InChIKeyKUCRWIGUKXNRNZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.42
Rot. Bonds6

About 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine

1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine (PubChem CID 139785535) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine
PubChem CID139785535
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine
SMILESCC(=NOCc1ccccc1)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C24H20F2N2O2/c1-16(28-30-14-17-6-3-2-4-7-17)18-10-12-19(13-11-18)22-15-29-24(27-22)23-20(25)8-5-9-21(23)26/h2-13,22H,14-15H2,1H3
InChIKeyKUCRWIGUKXNRNZ-UHFFFAOYSA-N
XLogP5.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
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
[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-trimethylsilane
CID 15008003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine?
The IUPAC name of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine (CID 139785535) is 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine.
What is the SMILES notation for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine?
The canonical SMILES for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine is CC(=NOCc1ccccc1)c1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine?
The InChIKey is KUCRWIGUKXNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-16(28-30-14-17-6-3-2-4-7-17)18-10-12-19(13-11-18)22-15-29-24(27-22)23-20(25)8-5-9-21(23)26/h2-13,22H,14-15H2,1H3.
What are the key properties of 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine?
1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine has a molecular weight of 406.43 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-N-phenylmethoxyethanimine is sourced from PubChem (CID 139785535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).