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

C22H14F6N2O3 — CID 158241679

IUPAC2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1
InChIInChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2
InChIKeyGFPPJLXMXSGIBX-UHFFFAOYSA-N
MW468.35 g/mol
LogP6.75
Rot. Bonds6

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

2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole (PubChem CID 158241679) has the molecular formula C22H14F6N2O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
PubChem CID158241679
Molecular FormulaC22H14F6N2O3
Molecular Weight468.35 g/mol
Exact Mass468.09
IUPAC Name2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1
InChIInChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2
InChIKeyGFPPJLXMXSGIBX-UHFFFAOYSA-N
XLogP6.75
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylate
CID 166323044
N-[[2-[3-methyl-5-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methyl]hydroxylamine
CID 22414740
1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
CID 115084393
1-methyl-2-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylamino]cyclopentan-1-ol
CID 166265535
2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
CID 166372321
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 20580531
2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
CID 118342245
2-(2-tert-butylphenyl)-4-[2-(4-methylphenoxy)ethyl]-1,3-oxazole
CID 18515879
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methanol
CID 55255072
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole (CID 158241679) is 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The InChIKey is GFPPJLXMXSGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole has a molecular weight of 468.35 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole is sourced from PubChem (CID 158241679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).