5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole

C15H13FN4O — CID 167791573

IUPAC5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1cnccn1)c1noc(C(F)c2ccccc2)n1
InChIInChI=1S/C15H13FN4O/c1-10(12-9-17-7-8-18-12)14-19-15(21-20-14)13(16)11-5-3-2-4-6-11/h2-10,13H,1H3
InChIKeyNXWLTPVTJBQBSV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.07
Rot. Bonds4

About 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole

5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 167791573) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID167791573
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1cnccn1)c1noc(C(F)c2ccccc2)n1
InChIInChI=1S/C15H13FN4O/c1-10(12-9-17-7-8-18-12)14-19-15(21-20-14)13(16)11-5-3-2-4-6-11/h2-10,13H,1H3
InChIKeyNXWLTPVTJBQBSV-UHFFFAOYSA-N
XLogP3.07
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole (CID 167791573) is 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole is CC(c1cnccn1)c1noc(C(F)c2ccccc2)n1.
What is the InChIKey of 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is NXWLTPVTJBQBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10(12-9-17-7-8-18-12)14-19-15(21-20-14)13(16)11-5-3-2-4-6-11/h2-10,13H,1H3.
What are the key properties of 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole?
5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 284.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167791573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).