5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C12H13FN2O3 — CID 136809814

IUPAC5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)(C)c1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O3/c1-12(2,17-3)11-14-10(18-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3
InChIKeyQCLGLVLEFYEQHZ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.46
Rot. Bonds3

About 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136809814) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136809814
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(C)(C)c1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O3/c1-12(2,17-3)11-14-10(18-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3
InChIKeyQCLGLVLEFYEQHZ-UHFFFAOYSA-N
XLogP2.46
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136927502
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017694
2-fluoro-6-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106525614
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957
5-chloro-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017728
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701059
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011382
5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136683234

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136809814) is 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is COC(C)(C)c1noc(-c2ccc(F)cc2O)n1.
What is the InChIKey of 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QCLGLVLEFYEQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-12(2,17-3)11-14-10(18-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3.
What are the key properties of 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 252.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136809814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).