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

C15H10ClFN2O2 — CID 63845942

IUPAC4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccc(F)cc3Cl)no2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-13-8-10(17)3-6-12(13)15-18-14(21-19-15)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2
InChIKeyXYXANHZCCSRJIS-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.83
Rot. Bonds3

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

4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 63845942) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID63845942
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccc(F)cc3Cl)no2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-13-8-10(17)3-6-12(13)15-18-14(21-19-15)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2
InChIKeyXYXANHZCCSRJIS-UHFFFAOYSA-N
XLogP3.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 63845942) is 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccc(Cc2nc(-c3ccc(F)cc3Cl)no2)cc1.
What is the InChIKey of 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is XYXANHZCCSRJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-13-8-10(17)3-6-12(13)15-18-14(21-19-15)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2.
What are the key properties of 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 304.71 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 63845942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).