5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

C23H16F3N2O5- — CID 163148942

IUPAC5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILES[O-]N(O)c1ccc(COc2ccc(-c3onc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1
InChIInChI=1S/C23H16F3N2O5/c24-23(25,26)22-20(15-4-2-1-3-5-15)21(33-27-22)18-11-10-17(12-19(18)29)32-13-14-6-8-16(9-7-14)28(30)31/h1-12,29-30H,13H2/q-1
InChIKeyJEIOYWPSZJNFJD-UHFFFAOYSA-N
MW457.38 g/mol
LogP6.01
Rot. Bonds6

About 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol

5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 163148942) has the molecular formula C23H16F3N2O5- and a molecular weight of 457.38 g/mol. Its IUPAC name is 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
PubChem CID163148942
Molecular FormulaC23H16F3N2O5-
Molecular Weight457.38 g/mol
Exact Mass457.10
IUPAC Name5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
SMILES[O-]N(O)c1ccc(COc2ccc(-c3onc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1
InChIInChI=1S/C23H16F3N2O5/c24-23(25,26)22-20(15-4-2-1-3-5-15)21(33-27-22)18-11-10-17(12-19(18)29)32-13-14-6-8-16(9-7-14)28(30)31/h1-12,29-30H,13H2/q-1
InChIKeyJEIOYWPSZJNFJD-UHFFFAOYSA-N
XLogP6.01
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135652567
2-phenyl-5-phenylmethoxyphenol
CID 123808909
5-[(2-methylphenyl)methoxy]-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651773
5-[(4-fluorophenyl)methoxy]-2-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 135652684
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-(trifluoromethyl)chromen-4-one
CID 163123163
N-hydroxy-4-[[3-hydroxy-4-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]benzeneamine oxide
CID 163119174
2-[4-[4-[5-(2,4-dihydroxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]phenyl]phenyl]butanoic acid
CID 175714305
5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651708
2-[2-amino-5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135582824
2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493195
5-methoxy-2-[5-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135656363
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol (CID 163148942) is 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is [O-]N(O)c1ccc(COc2ccc(-c3onc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1.
What is the InChIKey of 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is JEIOYWPSZJNFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N2O5/c24-23(25,26)22-20(15-4-2-1-3-5-15)21(33-27-22)18-11-10-17(12-19(18)29)32-13-14-6-8-16(9-7-14)28(30)31/h1-12,29-30H,13H2/q-1.
What are the key properties of 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol?
5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 457.38 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 163148942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).