3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

C36H26F6N2O5 — CID 142762879

IUPAC3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(COc2ccc(-c3cc(COCc4cc(-c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)no4)on3)cc2)cc1
InChIInChI=1S/C36H26F6N2O5/c37-35(38,39)27-9-1-23(2-10-27)19-46-29-13-5-25(6-14-29)33-17-31(48-43-33)21-45-22-32-18-34(44-49-32)26-7-15-30(16-8-26)47-20-24-3-11-28(12-4-24)36(40,41)42/h1-18H,19-22H2
InChIKeyLYDVQQWJYMBQEP-UHFFFAOYSA-N
MW680.60 g/mol
LogP9.91
Rot. Bonds12

About 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (PubChem CID 142762879) has the molecular formula C36H26F6N2O5 and a molecular weight of 680.60 g/mol. Its IUPAC name is 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
PubChem CID142762879
Molecular FormulaC36H26F6N2O5
Molecular Weight680.60 g/mol
Exact Mass680.17
IUPAC Name3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(COc2ccc(-c3cc(COCc4cc(-c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)no4)on3)cc2)cc1
InChIInChI=1S/C36H26F6N2O5/c37-35(38,39)27-9-1-23(2-10-27)19-46-29-13-5-25(6-14-29)33-17-31(48-43-33)21-45-22-32-18-34(44-49-32)26-7-15-30(16-8-26)47-20-24-3-11-28(12-4-24)36(40,41)42/h1-18H,19-22H2
InChIKeyLYDVQQWJYMBQEP-UHFFFAOYSA-N
XLogP9.91
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.60
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole with MolForge

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Related Compounds

3-[4-(trifluoromethylsulfanylmethoxy)phenyl]-5-[[3-[4-(trifluoromethylsulfanylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762896
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762967
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892622
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
CID 141057638
N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762897
morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
CID 42865751

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (CID 142762879) is 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is FC(F)(F)c1ccc(COc2ccc(-c3cc(COCc4cc(-c5ccc(OCc6ccc(C(F)(F)F)cc6)cc5)no4)on3)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The InChIKey is LYDVQQWJYMBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F6N2O5/c37-35(38,39)27-9-1-23(2-10-27)19-46-29-13-5-25(6-14-29)33-17-31(48-43-33)21-45-22-32-18-34(44-49-32)26-7-15-30(16-8-26)47-20-24-3-11-28(12-4-24)36(40,41)42/h1-18H,19-22H2.
What are the key properties of 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole has a molecular weight of 680.60 g/mol, XLogP of 9.91, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 142762879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).