4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole

C24H20FN5O — CID 67598459

IUPAC4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole
SMILESCC1(C)ON=C(c2ccccc2)N1c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H20FN5O/c1-24(2)30(22(29-31-24)18-6-4-3-5-7-18)23-27-20(16-8-10-19(25)11-9-16)21(28-23)17-12-14-26-15-13-17/h3-15H,1-2H3,(H,27,28)
InChIKeyDAMUADFJCQDALR-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.21
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole

4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole (PubChem CID 67598459) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole
PubChem CID67598459
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole
SMILESCC1(C)ON=C(c2ccccc2)N1c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C24H20FN5O/c1-24(2)30(22(29-31-24)18-6-4-3-5-7-18)23-27-20(16-8-10-19(25)11-9-16)21(28-23)17-12-14-26-15-13-17/h3-15H,1-2H3,(H,27,28)
InChIKeyDAMUADFJCQDALR-UHFFFAOYSA-N
XLogP5.21
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole (CID 67598459) is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole is CC1(C)ON=C(c2ccccc2)N1c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DAMUADFJCQDALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-24(2)30(22(29-31-24)18-6-4-3-5-7-18)23-27-20(16-8-10-19(25)11-9-16)21(28-23)17-12-14-26-15-13-17/h3-15H,1-2H3,(H,27,28).
What are the key properties of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole?
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole has a molecular weight of 413.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5,5-dimethyl-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 67598459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).