1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol

C22H18F7NO3 — CID 11719878

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
SMILESCc1cc(-c2nc(COc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C)c(C)o2)ccc1F
InChIInChI=1S/C22H18F7NO3/c1-11-8-14(4-6-16(11)23)19-30-17(13(3)33-19)10-32-18-7-5-15(9-12(18)2)20(31,21(24,25)26)22(27,28)29/h4-9,31H,10H2,1-3H3
InChIKeyBVJIYQPTFKNFKT-UHFFFAOYSA-N
MW477.38 g/mol
LogP6.30
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol (PubChem CID 11719878) has the molecular formula C22H18F7NO3 and a molecular weight of 477.38 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
PubChem CID11719878
Molecular FormulaC22H18F7NO3
Molecular Weight477.38 g/mol
Exact Mass477.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
SMILESCc1cc(-c2nc(COc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C)c(C)o2)ccc1F
InChIInChI=1S/C22H18F7NO3/c1-11-8-14(4-6-16(11)23)19-30-17(13(3)33-19)10-32-18-7-5-15(9-12(18)2)20(31,21(24,25)26)22(27,28)29/h4-9,31H,10H2,1-3H3
InChIKeyBVJIYQPTFKNFKT-UHFFFAOYSA-N
XLogP6.30
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11691818
2-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11641273
4-[4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylbenzamide
CID 11691851
2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11627507
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
3-methoxy-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 141069615
(2S)-3-[2-chloro-4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoic acid
CID 10253066
2-ethoxy-3-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]propanoic acid
CID 22273910
2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-ethylamino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713433
2-[2-(3,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanol
CID 82220028
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethanone
CID 10595616
N-[(E)-3-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10645675

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol (CID 11719878) is 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol is Cc1cc(-c2nc(COc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3C)c(C)o2)ccc1F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol?
The InChIKey is BVJIYQPTFKNFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F7NO3/c1-11-8-14(4-6-16(11)23)19-30-17(13(3)33-19)10-32-18-7-5-15(9-12(18)2)20(31,21(24,25)26)22(27,28)29/h4-9,31H,10H2,1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol has a molecular weight of 477.38 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol is sourced from PubChem (CID 11719878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).