[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol

C29H20F7N3O3 — CID 122599701

IUPAC[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(C)c(CO)c(F)c3)ccc2-n2ccc(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C29H20F7N3O3/c1-15-11-19(13-23(30)22(15)14-40)18-5-8-24(39-10-9-25(38-39)28(31,32)33)21(12-18)26-27(41-16(2)37-26)17-3-6-20(7-4-17)42-29(34,35)36/h3-13,40H,14H2,1-2H3
InChIKeyVFJCGNRYGLPUME-UHFFFAOYSA-N
MW591.48 g/mol
LogP8.03
Rot. Bonds6

About [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol

[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol (PubChem CID 122599701) has the molecular formula C29H20F7N3O3 and a molecular weight of 591.48 g/mol. Its IUPAC name is [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
PubChem CID122599701
Molecular FormulaC29H20F7N3O3
Molecular Weight591.48 g/mol
Exact Mass591.14
IUPAC Name[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
SMILESCc1nc(-c2cc(-c3cc(C)c(CO)c(F)c3)ccc2-n2ccc(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C29H20F7N3O3/c1-15-11-19(13-23(30)22(15)14-40)18-5-8-24(39-10-9-25(38-39)28(31,32)33)21(12-18)26-27(41-16(2)37-26)17-3-6-20(7-4-17)42-29(34,35)36/h3-13,40H,14H2,1-2H3
InChIKeyVFJCGNRYGLPUME-UHFFFAOYSA-N
XLogP8.03
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.48
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 23402759
3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 44564855
2-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]triazol-1-yl]phenyl]-4,5-bis(4-methoxyphenyl)-1,3-oxazole
CID 134134810
4,5-Bis(4-methoxyphenyl)-2-[3-[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]phenyl]-1,3-oxazole
CID 134145813
4-[4-[[3-(4-Methylphenyl)pyrazol-1-yl]methyl]-1,3-oxazol-2-yl]phenol
CID 136208060
2,2,2-Trifluoro-1-[4-fluoro-3-(1,3-oxazol-5-yl)phenyl]-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 57943221
2-[(3R,4R,4aR,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 60047770
[3-[[3-Methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 69216936
(2E)-3-{3-({3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}oxy)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-propen-1-ol
CID 69217738
3-[3-[[3-Methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-en-1-ol
CID 69217742
[5-[2-[4-(2,2-Difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-5-yl]-4-[3-ethyl-5-fluoro-4-(hydroxymethyl)phenyl]phenyl]-1-methylpyrazol-3-yl]methanol
CID 117613692
2-[1-[4-[3-Fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]-2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]phenyl]pyrazol-3-yl]propan-2-ol
CID 117613705

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol?
The IUPAC name of [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol (CID 122599701) is [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol is Cc1nc(-c2cc(-c3cc(C)c(CO)c(F)c3)ccc2-n2ccc(C(F)(F)F)n2)c(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol?
The InChIKey is VFJCGNRYGLPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F7N3O3/c1-15-11-19(13-23(30)22(15)14-40)18-5-8-24(39-10-9-25(38-39)28(31,32)33)21(12-18)26-27(41-16(2)37-26)17-3-6-20(7-4-17)42-29(34,35)36/h3-13,40H,14H2,1-2H3.
What are the key properties of [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol?
[2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol has a molecular weight of 591.48 g/mol, XLogP of 8.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methyl-4-[3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 122599701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).