2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole

C10H10ClN3O — CID 130516109

IUPAC2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cnccc1-c1nnc(CCCl)o1
InChIInChI=1S/C10H10ClN3O/c1-7-6-12-5-3-8(7)10-14-13-9(15-10)2-4-11/h3,5-6H,2,4H2,1H3
InChIKeyMHGCOZHIJBBHEO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 130516109) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID130516109
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cnccc1-c1nnc(CCCl)o1
InChIInChI=1S/C10H10ClN3O/c1-7-6-12-5-3-8(7)10-14-13-9(15-10)2-4-11/h3,5-6H,2,4H2,1H3
InChIKeyMHGCOZHIJBBHEO-UHFFFAOYSA-N
XLogP2.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
CID 66463788
2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 64950082
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 43513256
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
2-(2-chloroethyl)-5-(2,6-dimethyl-3-pyridinyl)-1,3,4-oxadiazole
CID 62830773
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
2-(3-chloropropyl)-5-(2,5-dimethylphenyl)-1,3,4-oxadiazole
CID 43513368
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
3-[5-(3-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 105064429
2-(2-chloroethyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39356118

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole (CID 130516109) is 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole is Cc1cnccc1-c1nnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is MHGCOZHIJBBHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-6-12-5-3-8(7)10-14-13-9(15-10)2-4-11/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 223.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 130516109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).