4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

C25H19FN4O3 — CID 67420677

IUPAC4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCc3ccco3)cc2)cn1
InChIInChI=1S/C25H19FN4O3/c1-16-23(24(29-33-16)18-4-2-5-19(26)12-18)22-14-30(15-28-22)20-9-7-17(8-10-20)25(31)27-13-21-6-3-11-32-21/h2-12,14-15H,13H2,1H3,(H,27,31)
InChIKeyFMBQXUUQJFXFCD-UHFFFAOYSA-N
MW442.45 g/mol
LogP5.16
Rot. Bonds6

About 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide

4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 67420677) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID67420677
Molecular FormulaC25H19FN4O3
Molecular Weight442.45 g/mol
Exact Mass442.14
IUPAC Name4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCc3ccco3)cc2)cn1
InChIInChI=1S/C25H19FN4O3/c1-16-23(24(29-33-16)18-4-2-5-19(26)12-18)22-14-30(15-28-22)20-9-7-17(8-10-20)25(31)27-13-21-6-3-11-32-21/h2-12,14-15H,13H2,1H3,(H,27,31)
InChIKeyFMBQXUUQJFXFCD-UHFFFAOYSA-N
XLogP5.16
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide (CID 67420677) is 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide is Cc1onc(-c2cccc(F)c2)c1-c1cn(-c2ccc(C(=O)NCc3ccco3)cc2)cn1.
What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is FMBQXUUQJFXFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c1-16-23(24(29-33-16)18-4-2-5-19(26)12-18)22-14-30(15-28-22)20-9-7-17(8-10-20)25(31)27-13-21-6-3-11-32-21/h2-12,14-15H,13H2,1H3,(H,27,31).
What are the key properties of 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 442.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 67420677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).