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

C14H11ClF3N5O2 — CID 11530881

IUPAC5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(C(F)(F)F)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClF3N5O2/c1-7(24-13-21-20-12(23(13)2)14(16,17)18)10-19-11(25-22-10)8-4-3-5-9(15)6-8/h3-7H,1-2H3/t7-/m1/s1
InChIKeyROUYHHSVALGJEY-SSDOTTSWSA-N
MW373.72 g/mol
LogP3.68
Rot. Bonds4

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

5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (PubChem CID 11530881) has the molecular formula C14H11ClF3N5O2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
PubChem CID11530881
Molecular FormulaC14H11ClF3N5O2
Molecular Weight373.72 g/mol
Exact Mass373.06
IUPAC Name5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(C(F)(F)F)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClF3N5O2/c1-7(24-13-21-20-12(23(13)2)14(16,17)18)10-19-11(25-22-10)8-4-3-5-9(15)6-8/h3-7H,1-2H3/t7-/m1/s1
InChIKeyROUYHHSVALGJEY-SSDOTTSWSA-N
XLogP3.68
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.68
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-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole (CID 11530881) is 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is C[C@@H](Oc1nnc(C(F)(F)F)n1C)c1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is ROUYHHSVALGJEY-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H11ClF3N5O2/c1-7(24-13-21-20-12(23(13)2)14(16,17)18)10-19-11(25-22-10)8-4-3-5-9(15)6-8/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-[(1R)-1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 373.72 g/mol, XLogP of 3.68, 4 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-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]oxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 11530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).