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

C18H15ClN6O2 — CID 11603367

IUPAC5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN6O2/c1-11(15-21-17(27-24-15)13-4-3-5-14(19)10-13)26-18-23-22-16(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyHSADFLSLBBDMSW-LLVKDONJSA-N
MW382.81 g/mol
LogP3.72
Rot. Bonds5

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

5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole (PubChem CID 11603367) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
PubChem CID11603367
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN6O2/c1-11(15-21-17(27-24-15)13-4-3-5-14(19)10-13)26-18-23-22-16(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1
InChIKeyHSADFLSLBBDMSW-LLVKDONJSA-N
XLogP3.72
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-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-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole (CID 11603367) is 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole is C[C@@H](Oc1nnc(-c2ccncc2)n1C)c1noc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
The InChIKey is HSADFLSLBBDMSW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11(15-21-17(27-24-15)13-4-3-5-14(19)10-13)26-18-23-22-16(25(18)2)12-6-8-20-9-7-12/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole has a molecular weight of 382.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(1R)-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)oxy]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 11603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).