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

C15H7ClF3N3O3 — CID 140530161

IUPAC[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1)C(F)(F)F
InChIInChI=1S/C15H7ClF3N3O3/c16-9-5-3-8(4-6-9)11-21-22-13(24-11)10-2-1-7-20-12(10)25-14(23)15(17,18)19/h1-7H
InChIKeyQRQPTQVBUNIVML-UHFFFAOYSA-N
MW369.69 g/mol
LogP3.92
Rot. Bonds3

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

[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 140530161) has the molecular formula C15H7ClF3N3O3 and a molecular weight of 369.69 g/mol. Its IUPAC name is [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID140530161
Molecular FormulaC15H7ClF3N3O3
Molecular Weight369.69 g/mol
Exact Mass369.01
IUPAC Name[3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1)C(F)(F)F
InChIInChI=1S/C15H7ClF3N3O3/c16-9-5-3-8(4-6-9)11-21-22-13(24-11)10-2-1-7-20-12(10)25-14(23)15(17,18)19/h1-7H
InChIKeyQRQPTQVBUNIVML-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

Analyze [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate 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 [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate (CID 140530161) is [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is O=C(Oc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1)C(F)(F)F.
What is the InChIKey of [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is QRQPTQVBUNIVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N3O3/c16-9-5-3-8(4-6-9)11-21-22-13(24-11)10-2-1-7-20-12(10)25-14(23)15(17,18)19/h1-7H.
What are the key properties of [3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate?
[3-[5-(4-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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).