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

C15H10F2N2O2 — CID 63845617

IUPAC3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(-c3cc(F)cc(F)c3)no2)c1
InChIInChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)15-18-14(21-19-15)5-9-2-1-3-13(20)4-9/h1-4,6-8,20H,5H2
InChIKeyKLEMEDGMNSIWAZ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.31
Rot. Bonds3

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

3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 63845617) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID63845617
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(-c3cc(F)cc(F)c3)no2)c1
InChIInChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)15-18-14(21-19-15)5-9-2-1-3-13(20)4-9/h1-4,6-8,20H,5H2
InChIKeyKLEMEDGMNSIWAZ-UHFFFAOYSA-N
XLogP3.31
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63845058
3-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 103084122
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349614

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 63845617) is 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1cccc(Cc2nc(-c3cc(F)cc(F)c3)no2)c1.
What is the InChIKey of 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is KLEMEDGMNSIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-11-6-10(7-12(17)8-11)15-18-14(21-19-15)5-9-2-1-3-13(20)4-9/h1-4,6-8,20H,5H2.
What are the key properties of 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 288.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 63845617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).