2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol

C10H7F3N2O3 — CID 82008572

IUPAC2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(C(F)(F)F)no2)cc1O
InChIInChI=1S/C10H7F3N2O3/c1-17-7-3-2-5(4-6(7)16)8-14-9(15-18-8)10(11,12)13/h2-4,16H,1H3
InChIKeyFZPLJVUSHQTFHZ-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.47
Rot. Bonds2

About 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol

2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 82008572) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID82008572
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(C(F)(F)F)no2)cc1O
InChIInChI=1S/C10H7F3N2O3/c1-17-7-3-2-5(4-6(7)16)8-14-9(15-18-8)10(11,12)13/h2-4,16H,1H3
InChIKeyFZPLJVUSHQTFHZ-UHFFFAOYSA-N
XLogP2.47
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79732855
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79733050
4,5-dimethoxy-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 82007554
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326088
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904536
2-methoxy-5-[5-(2,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 91148701

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 82008572) is 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2nc(C(F)(F)F)no2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is FZPLJVUSHQTFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-17-7-3-2-5(4-6(7)16)8-14-9(15-18-8)10(11,12)13/h2-4,16H,1H3.
What are the key properties of 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 260.17 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 82008572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).