5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

C20H20BrF2N3O3 — CID 166757187

IUPAC5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(OC1CCCCO1)c1nccn1Cc1cc(-c2c(F)cc(Br)cc2F)on1
InChIInChI=1S/C20H20BrF2N3O3/c1-12(28-18-4-2-3-7-27-18)20-24-5-6-26(20)11-14-10-17(29-25-14)19-15(22)8-13(21)9-16(19)23/h5-6,8-10,12,18H,2-4,7,11H2,1H3
InChIKeyHLUSTFRULXJKLV-UHFFFAOYSA-N
MW468.30 g/mol
LogP5.23
Rot. Bonds6

About 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 166757187) has the molecular formula C20H20BrF2N3O3 and a molecular weight of 468.30 g/mol. Its IUPAC name is 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID166757187
Molecular FormulaC20H20BrF2N3O3
Molecular Weight468.30 g/mol
Exact Mass467.07
IUPAC Name5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(OC1CCCCO1)c1nccn1Cc1cc(-c2c(F)cc(Br)cc2F)on1
InChIInChI=1S/C20H20BrF2N3O3/c1-12(28-18-4-2-3-7-27-18)20-24-5-6-26(20)11-14-10-17(29-25-14)19-15(22)8-13(21)9-16(19)23/h5-6,8-10,12,18H,2-4,7,11H2,1H3
InChIKeyHLUSTFRULXJKLV-UHFFFAOYSA-N
XLogP5.23
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.30
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (CID 166757187) is 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is CC(OC1CCCCO1)c1nccn1Cc1cc(-c2c(F)cc(Br)cc2F)on1.
What is the InChIKey of 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is HLUSTFRULXJKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF2N3O3/c1-12(28-18-4-2-3-7-27-18)20-24-5-6-26(20)11-14-10-17(29-25-14)19-15(22)8-13(21)9-16(19)23/h5-6,8-10,12,18H,2-4,7,11H2,1H3.
What are the key properties of 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 468.30 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2,6-difluorophenyl)-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166757187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).