2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole

C52H58Cl3N5O3 — CID 160757455

IUPAC2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)(C)c1ncc(-c2ccccc2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)o1.CC(C)(C)c1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H13Cl2NO.C13H14ClNO.C13H16N2.C13H15NO/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15;1-13(2,3)12-15-8-11(16-12)9-6-4-5-7-10(9)14;2*1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3
InChIKeyRXPRTFKIRYBZDJ-UHFFFAOYSA-N
MW907.43 g/mol
LogP16.25
Rot. Bonds4

About 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole

2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole (PubChem CID 160757455) has the molecular formula C52H58Cl3N5O3 and a molecular weight of 907.43 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole
PubChem CID160757455
Molecular FormulaC52H58Cl3N5O3
Molecular Weight907.43 g/mol
Exact Mass905.36
IUPAC Name2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole
SMILESCC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)(C)c1ncc(-c2ccccc2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)o1.CC(C)(C)c1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H13Cl2NO.C13H14ClNO.C13H16N2.C13H15NO/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15;1-13(2,3)12-15-8-11(16-12)9-6-4-5-7-10(9)14;2*1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3
InChIKeyRXPRTFKIRYBZDJ-UHFFFAOYSA-N
XLogP16.25
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.43
LogP ≤ 516.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole (CID 160757455) is 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole is CC(C)(C)c1ncc(-c2c(Cl)cccc2Cl)o1.CC(C)(C)c1ncc(-c2ccccc2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)o1.CC(C)(C)c1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole?
The InChIKey is RXPRTFKIRYBZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO.C13H14ClNO.C13H16N2.C13H15NO/c1-13(2,3)12-16-7-10(17-12)11-8(14)5-4-6-9(11)15;1-13(2,3)12-15-8-11(16-12)9-6-4-5-7-10(9)14;2*1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10/h4-7H,1-3H3;4-8H,1-3H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole?
2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole has a molecular weight of 907.43 g/mol, XLogP of 16.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-chlorophenyl)-1,3-oxazole;2-tert-butyl-5-(2,6-dichlorophenyl)-1,3-oxazole;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 160757455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).