5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole

C19H15ClFN5O2 — CID 11524150

IUPAC5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2ccc(F)cc2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClFN5O2/c1-11(16-22-18(28-25-16)13-4-3-5-14(20)10-13)27-19-24-23-17(26(19)2)12-6-8-15(21)9-7-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyBFSUHGIGZKHGLE-LLVKDONJSA-N
MW399.81 g/mol
LogP4.46
Rot. Bonds5

About 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole

5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (PubChem CID 11524150) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
PubChem CID11524150
Molecular FormulaC19H15ClFN5O2
Molecular Weight399.81 g/mol
Exact Mass399.09
IUPAC Name5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2ccc(F)cc2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClFN5O2/c1-11(16-22-18(28-25-16)13-4-3-5-14(20)10-13)27-19-24-23-17(26(19)2)12-6-8-15(21)9-7-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyBFSUHGIGZKHGLE-LLVKDONJSA-N
XLogP4.46
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (CID 11524150) is 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is C[C@@H](Oc1nnc(-c2ccc(F)cc2)n1C)c1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is BFSUHGIGZKHGLE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15ClFN5O2/c1-11(16-22-18(28-25-16)13-4-3-5-14(20)10-13)27-19-24-23-17(26(19)2)12-6-8-15(21)9-7-12/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 399.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 11524150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).