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

C18H13FN4O — CID 53138418

IUPAC5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1F
InChIInChI=1S/C18H13FN4O/c1-11-5-6-14(10-15(11)19)18-21-17(23-24-18)13-4-2-3-12(9-13)16-7-8-20-22-16/h2-10H,1H3,(H,20,22)
InChIKeyDGZMMPZLBRMASM-UHFFFAOYSA-N
MW320.33 g/mol
LogP4.24
Rot. Bonds3

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

5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138418) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138418
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1F
InChIInChI=1S/C18H13FN4O/c1-11-5-6-14(10-15(11)19)18-21-17(23-24-18)13-4-2-3-12(9-13)16-7-8-20-22-16/h2-10H,1H3,(H,20,22)
InChIKeyDGZMMPZLBRMASM-UHFFFAOYSA-N
XLogP4.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (CID 53138418) is 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DGZMMPZLBRMASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-11-5-6-14(10-15(11)19)18-21-17(23-24-18)13-4-2-3-12(9-13)16-7-8-20-22-16/h2-10H,1H3,(H,20,22).
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 320.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).