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

C19H14ClF2N5O2 — CID 11668870

IUPAC5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2cc(F)cc(F)c2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H14ClF2N5O2/c1-10(16-23-18(29-26-16)11-4-3-5-13(20)6-11)28-19-25-24-17(27(19)2)12-7-14(21)9-15(22)8-12/h3-10H,1-2H3/t10-/m1/s1
InChIKeyXXTOKPUJQXHKBV-SNVBAGLBSA-N
MW417.80 g/mol
LogP4.60
Rot. Bonds5

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

5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (PubChem CID 11668870) has the molecular formula C19H14ClF2N5O2 and a molecular weight of 417.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
PubChem CID11668870
Molecular FormulaC19H14ClF2N5O2
Molecular Weight417.80 g/mol
Exact Mass417.08
IUPAC Name5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2cc(F)cc(F)c2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H14ClF2N5O2/c1-10(16-23-18(29-26-16)11-4-3-5-13(20)6-11)28-19-25-24-17(27(19)2)12-7-14(21)9-15(22)8-12/h3-10H,1-2H3/t10-/m1/s1
InChIKeyXXTOKPUJQXHKBV-SNVBAGLBSA-N
XLogP4.60
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (CID 11668870) is 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is C[C@@H](Oc1nnc(-c2cc(F)cc(F)c2)n1C)c1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is XXTOKPUJQXHKBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14ClF2N5O2/c1-10(16-23-18(29-26-16)11-4-3-5-13(20)6-11)28-19-25-24-17(27(19)2)12-7-14(21)9-15(22)8-12/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-[(1R)-1-[[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 417.80 g/mol, XLogP of 4.60, 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-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 11668870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).