2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole

C31H26F6N2O6 — CID 162219305

IUPAC2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole
SMILESCOc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1O.COc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1OCc1ccccc1
InChIInChI=1S/C19H16F3NO3.C12H10F3NO3/c1-12-8-16(26-23-12)14-9-18(25-11-13-6-4-3-5-7-13)17(24-2)10-15(14)19(20,21)22;1-6-3-10(19-16-6)7-4-9(17)11(18-2)5-8(7)12(13,14)15/h3-10H,11H2,1-2H3;3-5,17H,1-2H3
InChIKeyZTXDKBDQFQENNH-UHFFFAOYSA-N
MW636.55 g/mol
LogP8.64
Rot. Bonds7

About 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole (PubChem CID 162219305) has the molecular formula C31H26F6N2O6 and a molecular weight of 636.55 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole
PubChem CID162219305
Molecular FormulaC31H26F6N2O6
Molecular Weight636.55 g/mol
Exact Mass636.17
IUPAC Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole
SMILESCOc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1O.COc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1OCc1ccccc1
InChIInChI=1S/C19H16F3NO3.C12H10F3NO3/c1-12-8-16(26-23-12)14-9-18(25-11-13-6-4-3-5-7-13)17(24-2)10-15(14)19(20,21)22;1-6-3-10(19-16-6)7-4-9(17)11(18-2)5-8(7)12(13,14)15/h3-10H,11H2,1-2H3;3-5,17H,1-2H3
InChIKeyZTXDKBDQFQENNH-UHFFFAOYSA-N
XLogP8.64
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.55
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
2-bromo-1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone;1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 158418562
N-[di(propan-2-yl)carbamoyl]-4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 70261926
3-[4-methoxy-2-(methoxymethyl)-5-phenylmethoxyphenyl]-5-methyl-1,2,4-oxadiazole
CID 154225035
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 143825452
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole (CID 162219305) is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole is COc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1O.COc1cc(C(F)(F)F)c(-c2cc(C)no2)cc1OCc1ccccc1.
What is the InChIKey of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole?
The InChIKey is ZTXDKBDQFQENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3.C12H10F3NO3/c1-12-8-16(26-23-12)14-9-18(25-11-13-6-4-3-5-7-13)17(24-2)10-15(14)19(20,21)22;1-6-3-10(19-16-6)7-4-9(17)11(18-2)5-8(7)12(13,14)15/h3-10H,11H2,1-2H3;3-5,17H,1-2H3.
What are the key properties of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole?
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole has a molecular weight of 636.55 g/mol, XLogP of 8.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)phenol;5-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 162219305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).