5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole

C13H10F2N4O — CID 29084660

IUPAC5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cnc(-c2noc(Cc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C13H10F2N4O/c1-19-6-11(16-7-19)13-17-12(20-18-13)5-8-2-3-9(14)10(15)4-8/h2-4,6-7H,5H2,1H3
InChIKeyJZDONBUVWRADOM-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.34
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole

5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole (PubChem CID 29084660) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole
PubChem CID29084660
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCn1cnc(-c2noc(Cc3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C13H10F2N4O/c1-19-6-11(16-7-19)13-17-12(20-18-13)5-8-2-3-9(14)10(15)4-8/h2-4,6-7H,5H2,1H3
InChIKeyJZDONBUVWRADOM-UHFFFAOYSA-N
XLogP2.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole (CID 29084660) is 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole is Cn1cnc(-c2noc(Cc3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is JZDONBUVWRADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-19-6-11(16-7-19)13-17-12(20-18-13)5-8-2-3-9(14)10(15)4-8/h2-4,6-7H,5H2,1H3.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole?
5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 276.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-3-(1-methylimidazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 29084660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).