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

C16H13FN2O2 — CID 81273431

IUPAC4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCc1cc(F)ccc1-c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C16H13FN2O2/c1-10-8-12(17)4-7-14(10)16-18-15(21-19-16)9-11-2-5-13(20)6-3-11/h2-8,20H,9H2,1H3
InChIKeyZGNMSELGHRPXQG-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.48
Rot. Bonds3

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

4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 81273431) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID81273431
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCc1cc(F)ccc1-c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C16H13FN2O2/c1-10-8-12(17)4-7-14(10)16-18-15(21-19-16)9-11-2-5-13(20)6-3-11/h2-8,20H,9H2,1H3
InChIKeyZGNMSELGHRPXQG-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845942
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 81282056
4-[[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 114878987
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81273058
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 81274489
3-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 103084122
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526095
N-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 81261798
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
4-[[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845084
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751036

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 81273431) is 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Cc1cc(F)ccc1-c1noc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is ZGNMSELGHRPXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-8-12(17)4-7-14(10)16-18-15(21-19-16)9-11-2-5-13(20)6-3-11/h2-8,20H,9H2,1H3.
What are the key properties of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 284.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 81273431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).