2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole

C13H10ClN3O — CID 90124229

IUPAC2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-16-11(12(14)17-8)13-15-7-10(18-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKeyZHEWDJMZISSFRX-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.69
Rot. Bonds2

About 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole

2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole (PubChem CID 90124229) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
PubChem CID90124229
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1
InChIInChI=1S/C13H10ClN3O/c1-8-16-11(12(14)17-8)13-15-7-10(18-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKeyZHEWDJMZISSFRX-UHFFFAOYSA-N
XLogP3.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole (CID 90124229) is 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole is Cc1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The InChIKey is ZHEWDJMZISSFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-16-11(12(14)17-8)13-15-7-10(18-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole has a molecular weight of 259.70 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 90124229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).