3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole

C18H16Cl2N4O — CID 44816592

IUPAC3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESCc1cn(-c2c(C)nn3c(-c4ccc(Cl)cc4Cl)c(C)oc23)c(C)n1
InChIInChI=1S/C18H16Cl2N4O/c1-9-8-23(12(4)21-9)16-10(2)22-24-17(11(3)25-18(16)24)14-6-5-13(19)7-15(14)20/h5-8H,1-4H3
InChIKeyBUMOINPLXHRGNJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.32
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole

3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 44816592) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
PubChem CID44816592
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole
SMILESCc1cn(-c2c(C)nn3c(-c4ccc(Cl)cc4Cl)c(C)oc23)c(C)n1
InChIInChI=1S/C18H16Cl2N4O/c1-9-8-23(12(4)21-9)16-10(2)22-24-17(11(3)25-18(16)24)14-6-5-13(19)7-15(14)20/h5-8H,1-4H3
InChIKeyBUMOINPLXHRGNJ-UHFFFAOYSA-N
XLogP5.32
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole (CID 44816592) is 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is Cc1cn(-c2c(C)nn3c(-c4ccc(Cl)cc4Cl)c(C)oc23)c(C)n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is BUMOINPLXHRGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-9-8-23(12(4)21-9)16-10(2)22-24-17(11(3)25-18(16)24)14-6-5-13(19)7-15(14)20/h5-8H,1-4H3.
What are the key properties of 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole?
3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 375.26 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-7-(2,4-dimethylimidazol-1-yl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 44816592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).