4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

C20H17F3N2O5 — CID 4526247

IUPAC4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=N/c3cccc(C(F)(F)F)c3)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C20H17F3N2O5/c1-27-15-7-11(8-16(28-2)17(15)29-3)18-25-14(19(26)30-18)10-24-13-6-4-5-12(9-13)20(21,22)23/h4-10,26H,1-3H3/b24-10+
InChIKeyQVCTUZAKMVWOOV-YSURURNPSA-N
MW422.36 g/mol
LogP4.84
Rot. Bonds6

About 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol

4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (PubChem CID 4526247) has the molecular formula C20H17F3N2O5 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
PubChem CID4526247
Molecular FormulaC20H17F3N2O5
Molecular Weight422.36 g/mol
Exact Mass422.11
IUPAC Name4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
SMILESCOc1cc(-c2nc(/C=N/c3cccc(C(F)(F)F)c3)c(O)o2)cc(OC)c1OC
InChIInChI=1S/C20H17F3N2O5/c1-27-15-7-11(8-16(28-2)17(15)29-3)18-25-14(19(26)30-18)10-24-13-6-4-5-12(9-13)20(21,22)23/h4-10,26H,1-3H3/b24-10+
InChIKeyQVCTUZAKMVWOOV-YSURURNPSA-N
XLogP4.84
TPSA86.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(6-methyl-2-pyridinyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 5015995
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
4-[(2-bromo-4,5-dichlorophenyl)iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 3664727
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
4-[(3-chloro-4-fluorophenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3553107
4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol
CID 135420907
ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
CID 4654429
6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
CID 2799160
5-methoxy-4-(trifluoromethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 822891
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
CID 5210378
1-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 4134232

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol (CID 4526247) is 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is COc1cc(-c2nc(/C=N/c3cccc(C(F)(F)F)c3)c(O)o2)cc(OC)c1OC.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
The InChIKey is QVCTUZAKMVWOOV-YSURURNPSA-N. The full InChI is InChI=1S/C20H17F3N2O5/c1-27-15-7-11(8-16(28-2)17(15)29-3)18-25-14(19(26)30-18)10-24-13-6-4-5-12(9-13)20(21,22)23/h4-10,26H,1-3H3/b24-10+.
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol?
4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol has a molecular weight of 422.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]iminomethyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 4526247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).