4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol

C16H8Cl2F3NO3 — CID 163240753

IUPAC4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H8Cl2F3NO3/c17-10-4-1-7(5-11(10)18)13-14(25-22-15(13)16(19,20)21)9-3-2-8(23)6-12(9)24/h1-6,23-24H
InChIKeyQKWDCWKKNGYWSW-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.75
Rot. Bonds2

About 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol

4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol (PubChem CID 163240753) has the molecular formula C16H8Cl2F3NO3 and a molecular weight of 390.14 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
PubChem CID163240753
Molecular FormulaC16H8Cl2F3NO3
Molecular Weight390.14 g/mol
Exact Mass388.98
IUPAC Name4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C16H8Cl2F3NO3/c17-10-4-1-7(5-11(10)18)13-14(25-22-15(13)16(19,20)21)9-3-2-8(23)6-12(9)24/h1-6,23-24H
InChIKeyQKWDCWKKNGYWSW-UHFFFAOYSA-N
XLogP5.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
CID 163240752
2-[4-[4-[5-(2,4-dihydroxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-4-yl]phenyl]phenyl]butanoic acid
CID 175714305
4-bromo-6-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
CID 163240747
2-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-(2-methylprop-2-enoxy)phenol
CID 135652567
4-[3-methyl-4-(4-methylphenyl)-1,2-oxazol-5-yl]benzene-1,3-diol;molecular hydrogen
CID 167674338
4-[4-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 135650271
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
5-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 163148942
4-(3,4-dichlorophenyl)phenol
CID 6452909
4-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
CID 137183407
3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
CID 100950760
4-chlorobenzene-1,3-diol
CID 1731

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol (CID 163240753) is 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol is Oc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol?
The InChIKey is QKWDCWKKNGYWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NO3/c17-10-4-1-7(5-11(10)18)13-14(25-22-15(13)16(19,20)21)9-3-2-8(23)6-12(9)24/h1-6,23-24H.
What are the key properties of 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol?
4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol has a molecular weight of 390.14 g/mol, XLogP of 5.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 163240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).