5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

C17H10BrFN4O — CID 53007393

IUPAC5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)c1
InChIInChI=1S/C17H10BrFN4O/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17-20-16(23-24-17)11-4-2-6-13(19)8-11/h1-9H,(H,21,22)
InChIKeyYSHSALWJIQWAOH-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.70
Rot. Bonds3

About 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 53007393) has the molecular formula C17H10BrFN4O and a molecular weight of 385.20 g/mol. Its IUPAC name is 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID53007393
Molecular FormulaC17H10BrFN4O
Molecular Weight385.20 g/mol
Exact Mass384.00
IUPAC Name5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)c1
InChIInChI=1S/C17H10BrFN4O/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17-20-16(23-24-17)11-4-2-6-13(19)8-11/h1-9H,(H,21,22)
InChIKeyYSHSALWJIQWAOH-UHFFFAOYSA-N
XLogP4.70
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (CID 53007393) is 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)c1.
What is the InChIKey of 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is YSHSALWJIQWAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O/c18-12-5-1-3-10(7-12)14-9-15(22-21-14)17-20-16(23-24-17)11-4-2-6-13(19)8-11/h1-9H,(H,21,22).
What are the key properties of 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 385.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-bromophenyl)-1H-pyrazol-5-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53007393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).