4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

C19H13Cl2N3O — CID 23725269

IUPAC4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H13Cl2N3O/c1-12-18(19(23-25-12)13-5-3-2-4-6-13)17-10-24(11-22-17)14-7-8-15(20)16(21)9-14/h2-11H,1H3
InChIKeyRIEZQVRIBQVMCB-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.81
Rot. Bonds3

About 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole

4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 23725269) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID23725269
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H13Cl2N3O/c1-12-18(19(23-25-12)13-5-3-2-4-6-13)17-10-24(11-22-17)14-7-8-15(20)16(21)9-14/h2-11H,1H3
InChIKeyRIEZQVRIBQVMCB-UHFFFAOYSA-N
XLogP5.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 23725269) is 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is RIEZQVRIBQVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c1-12-18(19(23-25-12)13-5-3-2-4-6-13)17-10-24(11-22-17)14-7-8-15(20)16(21)9-14/h2-11H,1H3.
What are the key properties of 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 370.24 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 23725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).