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

C24H20ClF2NO2 — CID 15375936

IUPAC4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(Cl)cc2)cc(C)c1OCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C24H20ClF2NO2/c1-14-10-17(16-6-8-18(25)9-7-16)11-15(2)23(14)29-12-19-13-30-24(28-19)22-20(26)4-3-5-21(22)27/h3-11,19H,12-13H2,1-2H3
InChIKeyYGVOVAKLJUJPQH-UHFFFAOYSA-N
MW427.88 g/mol
LogP6.13
Rot. Bonds5

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

4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15375936) has the molecular formula C24H20ClF2NO2 and a molecular weight of 427.88 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15375936
Molecular FormulaC24H20ClF2NO2
Molecular Weight427.88 g/mol
Exact Mass427.12
IUPAC Name4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cc(-c2ccc(Cl)cc2)cc(C)c1OCC1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C24H20ClF2NO2/c1-14-10-17(16-6-8-18(25)9-7-16)11-15(2)23(14)29-12-19-13-30-24(28-19)22-20(26)4-3-5-21(22)27/h3-11,19H,12-13H2,1-2H3
InChIKeyYGVOVAKLJUJPQH-UHFFFAOYSA-N
XLogP6.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.88
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 162640338
2-[4-[(Z)-1-(4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 162640342
2-[4-[(Z)-1-(4-chlorophenyl)-2-(4-fluoro-3-methoxyphenyl)prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 163184709
2-[2-(4-Chlorophenyl)chroman-6-yl]-4,5-dihydrooxazole
CID 5272634
1-(4-chlorophenyl)-N-methoxy-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methanimine
CID 122177253
2-(2-Chloro-6-fluorophenyl)-4-[4-(4-ethoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 15007842
2-(2-Chloro-6-fluorophenyl)-4-(4-methoxy-3-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008069
2-(2,6-Diflurophenyl)-4-{[4-(1,1-dimethylethyl)phenoxy]methyl}-2-oxazoline
CID 15279923
4-[[2-Chloro-4-(4-chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15279926
4-[[4-(3-Chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15279927
2-(2,6-Difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 15279928
2-(2,6-Difluorophenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole
CID 15279929

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 15375936) is 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is Cc1cc(-c2ccc(Cl)cc2)cc(C)c1OCC1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YGVOVAKLJUJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2NO2/c1-14-10-17(16-6-8-18(25)9-7-16)11-15(2)23(14)29-12-19-13-30-24(28-19)22-20(26)4-3-5-21(22)27/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 427.88 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-2,6-dimethylphenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15375936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).