2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

C12H11Cl2N3O2 — CID 79780596

IUPAC2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C12H11Cl2N3O2/c13-6-4-8(14)10(15-5-6)11-16-12(19-17-11)7-2-1-3-9(7)18/h4-5,7,9,18H,1-3H2
InChIKeyKQUODRBZWKVVOI-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.07
Rot. Bonds2

About 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 79780596) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID79780596
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(-c2ncc(Cl)cc2Cl)no1
InChIInChI=1S/C12H11Cl2N3O2/c13-6-4-8(14)10(15-5-6)11-16-12(19-17-11)7-2-1-3-9(7)18/h4-5,7,9,18H,1-3H2
InChIKeyKQUODRBZWKVVOI-UHFFFAOYSA-N
XLogP3.07
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol 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 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 79780596) is 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is OC1CCCC1c1nc(-c2ncc(Cl)cc2Cl)no1.
What is the InChIKey of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is KQUODRBZWKVVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-6-4-8(14)10(15-5-6)11-16-12(19-17-11)7-2-1-3-9(7)18/h4-5,7,9,18H,1-3H2.
What are the key properties of 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 300.14 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 79780596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).