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

C31H24F7N3O3 — CID 122599688

IUPAC[2-fluoro-6-methyl-4-[3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
SMILESCc1cc(-c2ccc(-n3ccc(C(F)(F)F)n3)c(-c3nc(C(C)C)oc3-c3ccc(OC(F)(F)F)cc3)c2)cc(F)c1CO
InChIInChI=1S/C31H24F7N3O3/c1-16(2)29-39-27(28(43-29)18-4-7-21(8-5-18)44-31(36,37)38)22-13-19(20-12-17(3)23(15-42)24(32)14-20)6-9-25(22)41-11-10-26(40-41)30(33,34)35/h4-14,16,42H,15H2,1-3H3
InChIKeyTWQFVAUMKAVSJB-UHFFFAOYSA-N
MW619.54 g/mol
LogP8.84
Rot. Bonds7

About [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol (PubChem CID 122599688) has the molecular formula C31H24F7N3O3 and a molecular weight of 619.54 g/mol. Its IUPAC name is [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
PubChem CID122599688
Molecular FormulaC31H24F7N3O3
Molecular Weight619.54 g/mol
Exact Mass619.17
IUPAC Name[2-fluoro-6-methyl-4-[3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
SMILESCc1cc(-c2ccc(-n3ccc(C(F)(F)F)n3)c(-c3nc(C(C)C)oc3-c3ccc(OC(F)(F)F)cc3)c2)cc(F)c1CO
InChIInChI=1S/C31H24F7N3O3/c1-16(2)29-39-27(28(43-29)18-4-7-21(8-5-18)44-31(36,37)38)22-13-19(20-12-17(3)23(15-42)24(32)14-20)6-9-25(22)41-11-10-26(40-41)30(33,34)35/h4-14,16,42H,15H2,1-3H3
InChIKeyTWQFVAUMKAVSJB-UHFFFAOYSA-N
XLogP8.84
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.54
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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
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
[2-Fluoro-6-methylsulfonyl-4-[3-[2-propan-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol
CID 117613714
[4-[3-[2-Cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol
CID 117613718

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol (CID 122599688) is [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol is Cc1cc(-c2ccc(-n3ccc(C(F)(F)F)n3)c(-c3nc(C(C)C)oc3-c3ccc(OC(F)(F)F)cc3)c2)cc(F)c1CO.
What is the InChIKey of [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol?
The InChIKey is TWQFVAUMKAVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F7N3O3/c1-16(2)29-39-27(28(43-29)18-4-7-21(8-5-18)44-31(36,37)38)22-13-19(20-12-17(3)23(15-42)24(32)14-20)6-9-25(22)41-11-10-26(40-41)30(33,34)35/h4-14,16,42H,15H2,1-3H3.
What are the key properties of [2-fluoro-6-methyl-4-[3-[2-propan-2-yl-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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol has a molecular weight of 619.54 g/mol, XLogP of 8.84, 7 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-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 122599688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).