2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole

C13H9Cl2N3O — CID 15925546

IUPAC2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
SMILESClc1ccc(-c2nc(Cn3ccnc3)co2)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-9-1-2-11(12(15)5-9)13-17-10(7-19-13)6-18-4-3-16-8-18/h1-5,7-8H,6H2
InChIKeyXTDLBAYWRUJDQG-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.89
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole

2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole (PubChem CID 15925546) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
PubChem CID15925546
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
SMILESClc1ccc(-c2nc(Cn3ccnc3)co2)c(Cl)c1
InChIInChI=1S/C13H9Cl2N3O/c14-9-1-2-11(12(15)5-9)13-17-10(7-19-13)6-18-4-3-16-8-18/h1-5,7-8H,6H2
InChIKeyXTDLBAYWRUJDQG-UHFFFAOYSA-N
XLogP3.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-4-[(3-methyl-4-phenylpyrazol-1-yl)methyl]-1,3-oxazole
CID 56658759
4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 47281616
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
2-(2-chlorophenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56672942
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
CID 106862629
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
(1R,4S)-N-[[2-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 56665399

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole (CID 15925546) is 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole is Clc1ccc(-c2nc(Cn3ccnc3)co2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is XTDLBAYWRUJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-9-1-2-11(12(15)5-9)13-17-10(7-19-13)6-18-4-3-16-8-18/h1-5,7-8H,6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole?
2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 294.14 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 15925546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).