5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole

C17H10ClFN4O2 — CID 118730434

IUPAC5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4[nH]ncc4Cl)n3)cc2)cc1
InChIInChI=1S/C17H10ClFN4O2/c18-14-9-20-22-15(14)17-21-16(23-25-17)10-1-5-12(6-2-10)24-13-7-3-11(19)4-8-13/h1-9H,(H,20,22)
InChIKeyMYRZKYMVKRPOFG-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.71
Rot. Bonds4

About 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole

5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 118730434) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
PubChem CID118730434
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(Oc2ccc(-c3noc(-c4[nH]ncc4Cl)n3)cc2)cc1
InChIInChI=1S/C17H10ClFN4O2/c18-14-9-20-22-15(14)17-21-16(23-25-17)10-1-5-12(6-2-10)24-13-7-3-11(19)4-8-13/h1-9H,(H,20,22)
InChIKeyMYRZKYMVKRPOFG-UHFFFAOYSA-N
XLogP4.71
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole (CID 118730434) is 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole is Fc1ccc(Oc2ccc(-c3noc(-c4[nH]ncc4Cl)n3)cc2)cc1.
What is the InChIKey of 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is MYRZKYMVKRPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c18-14-9-20-22-15(14)17-21-16(23-25-17)10-1-5-12(6-2-10)24-13-7-3-11(19)4-8-13/h1-9H,(H,20,22).
What are the key properties of 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole?
5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 356.74 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1H-pyrazol-5-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 118730434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).