4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole

C24H15Cl2FN4O — CID 134144154

IUPAC4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole
SMILESFc1cccc(-c2cn(Cc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)o3)nn2)c1
InChIInChI=1S/C24H15Cl2FN4O/c25-18-8-4-15(5-9-18)23-24(16-6-10-19(26)11-7-16)32-22(28-23)14-31-13-21(29-30-31)17-2-1-3-20(27)12-17/h1-13H,14H2
InChIKeyWVHVCJBWYCBJJZ-UHFFFAOYSA-N
MW465.32 g/mol
LogP6.76
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole

4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole (PubChem CID 134144154) has the molecular formula C24H15Cl2FN4O and a molecular weight of 465.32 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole
PubChem CID134144154
Molecular FormulaC24H15Cl2FN4O
Molecular Weight465.32 g/mol
Exact Mass464.06
IUPAC Name4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole
SMILESFc1cccc(-c2cn(Cc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)o3)nn2)c1
InChIInChI=1S/C24H15Cl2FN4O/c25-18-8-4-15(5-9-18)23-24(16-6-10-19(26)11-7-16)32-22(28-23)14-31-13-21(29-30-31)17-2-1-3-20(27)12-17/h1-13H,14H2
InChIKeyWVHVCJBWYCBJJZ-UHFFFAOYSA-N
XLogP6.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.32
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole (CID 134144154) is 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole is Fc1cccc(-c2cn(Cc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)o3)nn2)c1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is WVHVCJBWYCBJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2FN4O/c25-18-8-4-15(5-9-18)23-24(16-6-10-19(26)11-7-16)32-22(28-23)14-31-13-21(29-30-31)17-2-1-3-20(27)12-17/h1-13H,14H2.
What are the key properties of 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole?
4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 465.32 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-[[4-(3-fluorophenyl)triazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 134144154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).