[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

C15H7ClF3N3O3 — CID 140530162

IUPAC[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F
InChIInChI=1S/C15H7ClF3N3O3/c16-9-4-1-3-8(7-9)11-21-22-13(24-11)10-5-2-6-20-12(10)25-14(23)15(17,18)19/h1-7H
InChIKeyDZUMLDHJAJWDIA-UHFFFAOYSA-N
MW369.69 g/mol
LogP3.92
Rot. Bonds3

About [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate

[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 140530162) has the molecular formula C15H7ClF3N3O3 and a molecular weight of 369.69 g/mol. Its IUPAC name is [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID140530162
Molecular FormulaC15H7ClF3N3O3
Molecular Weight369.69 g/mol
Exact Mass369.01
IUPAC Name[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F
InChIInChI=1S/C15H7ClF3N3O3/c16-9-4-1-3-8(7-9)11-21-22-13(24-11)10-5-2-6-20-12(10)25-14(23)15(17,18)19/h1-7H
InChIKeyDZUMLDHJAJWDIA-UHFFFAOYSA-N
XLogP3.92
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (CID 140530162) is [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is O=C(Oc1ncccc1-c1nnc(-c2cccc(Cl)c2)o1)C(F)(F)F.
What is the InChIKey of [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is DZUMLDHJAJWDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N3O3/c16-9-4-1-3-8(7-9)11-21-22-13(24-11)10-5-2-6-20-12(10)25-14(23)15(17,18)19/h1-7H.
What are the key properties of [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
[3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 369.69 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140530162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).