2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole

C24H22Cl3N3O — CID 69190558

IUPAC2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
SMILESCCc1c(-c2cnc(C(C)(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22Cl3N3O/c1-5-19-21(20-13-28-23(31-20)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-13H,5H2,1-4H3
InChIKeyKYALRBLUKXRWQZ-UHFFFAOYSA-N
MW474.82 g/mol
LogP8.01
Rot. Bonds4

About 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole

2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole (PubChem CID 69190558) has the molecular formula C24H22Cl3N3O and a molecular weight of 474.82 g/mol. Its IUPAC name is 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
PubChem CID69190558
Molecular FormulaC24H22Cl3N3O
Molecular Weight474.82 g/mol
Exact Mass473.08
IUPAC Name2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
SMILESCCc1c(-c2cnc(C(C)(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H22Cl3N3O/c1-5-19-21(20-13-28-23(31-20)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-13H,5H2,1-4H3
InChIKeyKYALRBLUKXRWQZ-UHFFFAOYSA-N
XLogP8.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.82
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 59786164
2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
CID 24994325
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
CID 24994323
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
CID 71064044
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 24994021
2-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-ethylpropan-2-amine
CID 69403255
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
CID 69094460
5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole
CID 141108787
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
CID 141103308
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786208
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole (CID 69190558) is 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole is CCc1c(-c2cnc(C(C)(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole?
The InChIKey is KYALRBLUKXRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3N3O/c1-5-19-21(20-13-28-23(31-20)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole?
2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole has a molecular weight of 474.82 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 69190558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).