3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole

C10H10F2N4O — CID 167800272

IUPAC3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole
SMILESCc1nc(/C=C/c2nc(C(F)F)no2)[nH]c1C
InChIInChI=1S/C10H10F2N4O/c1-5-6(2)14-7(13-5)3-4-8-15-10(9(11)12)16-17-8/h3-4,9H,1-2H3,(H,13,14)/b4-3+
InChIKeyKHVJTTPNSUOMHP-ONEGZZNKSA-N
MW240.21 g/mol
LogP2.52
Rot. Bonds3

About 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole

3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 167800272) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID167800272
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole
SMILESCc1nc(/C=C/c2nc(C(F)F)no2)[nH]c1C
InChIInChI=1S/C10H10F2N4O/c1-5-6(2)14-7(13-5)3-4-8-15-10(9(11)12)16-17-8/h3-4,9H,1-2H3,(H,13,14)/b4-3+
InChIKeyKHVJTTPNSUOMHP-ONEGZZNKSA-N
XLogP2.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole (CID 167800272) is 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole is Cc1nc(/C=C/c2nc(C(F)F)no2)[nH]c1C.
What is the InChIKey of 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is KHVJTTPNSUOMHP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-5-6(2)14-7(13-5)3-4-8-15-10(9(11)12)16-17-8/h3-4,9H,1-2H3,(H,13,14)/b4-3+.
What are the key properties of 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole?
3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 240.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-[(E)-2-(4,5-dimethyl-1H-imidazol-2-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167800272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).