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

C10H7F3N2O2 — CID 136751251

IUPAC2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C(F)(F)F)no2)ccc1O
InChIInChI=1S/C10H7F3N2O2/c1-5-4-6(2-3-7(5)16)8-14-9(15-17-8)10(11,12)13/h2-4,16H,1H3
InChIKeyDAPXEVWYGJWFKT-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.77
Rot. Bonds1

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

2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751251) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751251
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C(F)(F)F)no2)ccc1O
InChIInChI=1S/C10H7F3N2O2/c1-5-4-6(2-3-7(5)16)8-14-9(15-17-8)10(11,12)13/h2-4,16H,1H3
InChIKeyDAPXEVWYGJWFKT-UHFFFAOYSA-N
XLogP2.77
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751304
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751308
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325497
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751281
2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751251) is 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(C(F)(F)F)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DAPXEVWYGJWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-5-4-6(2-3-7(5)16)8-14-9(15-17-8)10(11,12)13/h2-4,16H,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 244.17 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).