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

C20H17FN4O — CID 19326248

IUPAC5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)n1
InChIInChI=1S/C20H17FN4O/c1-13-10-14(2)25(23-13)12-15-4-3-5-17(11-15)20-22-19(24-26-20)16-6-8-18(21)9-7-16/h3-11H,12H2,1-2H3
InChIKeyUVRLHTROVYOEAT-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.40
Rot. Bonds4

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

5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326248) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326248
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)n1
InChIInChI=1S/C20H17FN4O/c1-13-10-14(2)25(23-13)12-15-4-3-5-17(11-15)20-22-19(24-26-20)16-6-8-18(21)9-7-16/h3-11H,12H2,1-2H3
InChIKeyUVRLHTROVYOEAT-UHFFFAOYSA-N
XLogP4.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326248) is 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)n1.
What is the InChIKey of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is UVRLHTROVYOEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-10-14(2)25(23-13)12-15-4-3-5-17(11-15)20-22-19(24-26-20)16-6-8-18(21)9-7-16/h3-11H,12H2,1-2H3.
What are the key properties of 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 348.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).