2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole

C15H10ClFN2O2 — CID 4796084

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-13-2-1-3-14(17)12(13)8-20-11-6-4-10(5-7-11)15-19-18-9-21-15/h1-7,9H,8H2
InChIKeyWXNRLZIHMBIZJG-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.11
Rot. Bonds4

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 4796084) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID4796084
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cl)c1COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-13-2-1-3-14(17)12(13)8-20-11-6-4-10(5-7-11)15-19-18-9-21-15/h1-7,9H,8H2
InChIKeyWXNRLZIHMBIZJG-UHFFFAOYSA-N
XLogP4.11
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 4796084) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is Fc1cccc(Cl)c1COc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is WXNRLZIHMBIZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-13-2-1-3-14(17)12(13)8-20-11-6-4-10(5-7-11)15-19-18-9-21-15/h1-7,9H,8H2.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 304.71 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4796084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).