2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C14H13BrN4O — CID 86788166

IUPAC2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2ccnc2-c2cncc(Br)c2)oc1C
InChIInChI=1S/C14H13BrN4O/c1-9-10(2)20-13(18-9)8-19-4-3-17-14(19)11-5-12(15)7-16-6-11/h3-7H,8H2,1-2H3
InChIKeyUAUIDRORVBZIDZ-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.36
Rot. Bonds3

About 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 86788166) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID86788166
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2ccnc2-c2cncc(Br)c2)oc1C
InChIInChI=1S/C14H13BrN4O/c1-9-10(2)20-13(18-9)8-19-4-3-17-14(19)11-5-12(15)7-16-6-11/h3-7H,8H2,1-2H3
InChIKeyUAUIDRORVBZIDZ-UHFFFAOYSA-N
XLogP3.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 86788166) is 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2ccnc2-c2cncc(Br)c2)oc1C.
What is the InChIKey of 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is UAUIDRORVBZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-9-10(2)20-13(18-9)8-19-4-3-17-14(19)11-5-12(15)7-16-6-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 333.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-3-pyridinyl)imidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 86788166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).