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

C16H16ClN3O — CID 59836610

IUPAC2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1
InChIInChI=1S/C16H16ClN3O/c1-16(2,3)15-19-12(13(17)20-15)14-18-9-11(21-14)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20)
InChIKeyYOAPLATVEBKCLK-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.68
Rot. Bonds2

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

2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole (PubChem CID 59836610) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
PubChem CID59836610
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1
InChIInChI=1S/C16H16ClN3O/c1-16(2,3)15-19-12(13(17)20-15)14-18-9-11(21-14)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20)
InChIKeyYOAPLATVEBKCLK-UHFFFAOYSA-N
XLogP4.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole (CID 59836610) is 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole is CC(C)(C)c1nc(-c2ncc(-c3ccccc3)o2)c(Cl)[nH]1.
What is the InChIKey of 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
The InChIKey is YOAPLATVEBKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-16(2,3)15-19-12(13(17)20-15)14-18-9-11(21-14)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole?
2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole has a molecular weight of 301.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-chloro-1H-imidazol-4-yl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 59836610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).