1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone

C21H16FN3O3 — CID 67420647

IUPAC1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3CO)c2)cc1
InChIInChI=1S/C21H16FN3O3/c1-13(27)14-4-8-17(9-5-14)25-10-18(23-12-25)20-19(11-26)28-24-21(20)15-2-6-16(22)7-3-15/h2-10,12,26H,11H2,1H3
InChIKeyBVGYNGXXUDCRNE-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone

1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone (PubChem CID 67420647) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone
PubChem CID67420647
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3CO)c2)cc1
InChIInChI=1S/C21H16FN3O3/c1-13(27)14-4-8-17(9-5-14)25-10-18(23-12-25)20-19(11-26)28-24-21(20)15-2-6-16(22)7-3-15/h2-10,12,26H,11H2,1H3
InChIKeyBVGYNGXXUDCRNE-UHFFFAOYSA-N
XLogP4.03
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone (CID 67420647) is 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone is CC(=O)c1ccc(-n2cnc(-c3c(-c4ccc(F)cc4)noc3CO)c2)cc1.
What is the InChIKey of 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone?
The InChIKey is BVGYNGXXUDCRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-13(27)14-4-8-17(9-5-14)25-10-18(23-12-25)20-19(11-26)28-24-21(20)15-2-6-16(22)7-3-15/h2-10,12,26H,11H2,1H3.
What are the key properties of 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone?
1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone has a molecular weight of 377.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 67420647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).