5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one

C10H10ClN3O2 — CID 90010639

IUPAC5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1cnc(Cl)cc1-c1nn(C)c(=O)o1
InChIInChI=1S/C10H10ClN3O2/c1-3-6-5-12-8(11)4-7(6)9-13-14(2)10(15)16-9/h4-5H,3H2,1-2H3
InChIKeyCYRXDAXJFFKYDQ-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.65
Rot. Bonds2

About 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one

5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 90010639) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID90010639
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1cnc(Cl)cc1-c1nn(C)c(=O)o1
InChIInChI=1S/C10H10ClN3O2/c1-3-6-5-12-8(11)4-7(6)9-13-14(2)10(15)16-9/h4-5H,3H2,1-2H3
InChIKeyCYRXDAXJFFKYDQ-UHFFFAOYSA-N
XLogP1.65
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one 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 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 90010639) is 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is CCc1cnc(Cl)cc1-c1nn(C)c(=O)o1.
What is the InChIKey of 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is CYRXDAXJFFKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-6-5-12-8(11)4-7(6)9-13-14(2)10(15)16-9/h4-5H,3H2,1-2H3.
What are the key properties of 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 239.66 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90010639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).