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

C14H7ClF2N2O2 — CID 136670695

IUPAC2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H7ClF2N2O2/c15-9-6-7(16)4-5-8(9)13-18-14(21-19-13)12-10(17)2-1-3-11(12)20/h1-6,20H
InChIKeyXVPHAFRILNTQIK-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.04
Rot. Bonds2

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

2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (PubChem CID 136670695) has the molecular formula C14H7ClF2N2O2 and a molecular weight of 308.67 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
PubChem CID136670695
Molecular FormulaC14H7ClF2N2O2
Molecular Weight308.67 g/mol
Exact Mass308.02
IUPAC Name2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H7ClF2N2O2/c15-9-6-7(16)4-5-8(9)13-18-14(21-19-13)12-10(17)2-1-3-11(12)20/h1-6,20H
InChIKeyXVPHAFRILNTQIK-UHFFFAOYSA-N
XLogP4.04
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (CID 136670695) is 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is Oc1cccc(F)c1-c1nc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The InChIKey is XVPHAFRILNTQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O2/c15-9-6-7(16)4-5-8(9)13-18-14(21-19-13)12-10(17)2-1-3-11(12)20/h1-6,20H.
What are the key properties of 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol has a molecular weight of 308.67 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136670695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).