2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

C19H13Cl2N3O — CID 56670374

IUPAC2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O/c20-14-6-7-16(17(21)8-14)19-23-15(11-25-19)9-24-10-18(22-12-24)13-4-2-1-3-5-13/h1-8,10-12H,9H2
InChIKeyVWVBEGOPPJPZIG-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.56
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56670374) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56670374
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESClc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O/c20-14-6-7-16(17(21)8-14)19-23-15(11-25-19)9-24-10-18(22-12-24)13-4-2-1-3-5-13/h1-8,10-12H,9H2
InChIKeyVWVBEGOPPJPZIG-UHFFFAOYSA-N
XLogP5.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-imidazol-4-yl)ethyl]acetamide
CID 56756979
2-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole
CID 156700972
5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
CID 165368446
2-(2,4-Dichlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925546
2-(2-Chlorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 15925562
2-(4-Chlorobenzoyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-YL)methyl]-1H-1,3-benzodiazole
CID 20930784
1-[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylmethanamine
CID 29149788
2-(4-Fluorophenyl)-4-(imidazol-1-ylmethyl)-1,3-oxazole
CID 45807044
2-(2-Chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 48392490
2-(2-Chlorophenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 48392492
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-phenyl-1,3-oxazole
CID 53609845
1-[[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]methyl]imidazole-2-carbaldehyde
CID 56658071

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56670374) is 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is Clc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is VWVBEGOPPJPZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c20-14-6-7-16(17(21)8-14)19-23-15(11-25-19)9-24-10-18(22-12-24)13-4-2-1-3-5-13/h1-8,10-12H,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-(2,4-dichlorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 370.24 g/mol, XLogP of 5.56, 4 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-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56670374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).