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

C18H13FN4O — CID 53138519

IUPAC5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H13FN4O/c1-23-16(8-9-20-23)12-4-2-5-13(10-12)17-21-18(24-22-17)14-6-3-7-15(19)11-14/h2-11H,1H3
InChIKeyKRJRMGRMBFBOSQ-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.94
Rot. Bonds3

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

5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138519) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138519
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C18H13FN4O/c1-23-16(8-9-20-23)12-4-2-5-13(10-12)17-21-18(24-22-17)14-6-3-7-15(19)11-14/h2-11H,1H3
InChIKeyKRJRMGRMBFBOSQ-UHFFFAOYSA-N
XLogP3.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138519) is 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cn1nccc1-c1cccc(-c2noc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is KRJRMGRMBFBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-23-16(8-9-20-23)12-4-2-5-13(10-12)17-21-18(24-22-17)14-6-3-7-15(19)11-14/h2-11H,1H3.
What are the key properties of 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 320.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).