3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole

C18H13FN4O2 — CID 53035359

IUPAC3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1
InChIInChI=1S/C18H13FN4O2/c1-23-16(10-11-20-23)18-21-17(22-25-18)12-2-6-14(7-3-12)24-15-8-4-13(19)5-9-15/h2-11H,1H3
InChIKeyWFGIETSNTDBNSG-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.07
Rot. Bonds4

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

3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 53035359) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID53035359
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCn1nccc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1
InChIInChI=1S/C18H13FN4O2/c1-23-16(10-11-20-23)18-21-17(22-25-18)12-2-6-14(7-3-12)24-15-8-4-13(19)5-9-15/h2-11H,1H3
InChIKeyWFGIETSNTDBNSG-UHFFFAOYSA-N
XLogP4.07
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole (CID 53035359) is 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is Cn1nccc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is WFGIETSNTDBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-23-16(10-11-20-23)18-21-17(22-25-18)12-2-6-14(7-3-12)24-15-8-4-13(19)5-9-15/h2-11H,1H3.
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole?
3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 336.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53035359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).