5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

C10H10ClN3O — CID 62551885

IUPAC5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESClCCc1nc(Cc2cccnc2)no1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10-13-9(14-15-10)6-8-2-1-5-12-7-8/h1-2,5,7H,3-4,6H2
InChIKeyUKVMAWOOGMFKSD-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.84
Rot. Bonds4

About 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62551885) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID62551885
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESClCCc1nc(Cc2cccnc2)no1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10-13-9(14-15-10)6-8-2-1-5-12-7-8/h1-2,5,7H,3-4,6H2
InChIKeyUKVMAWOOGMFKSD-UHFFFAOYSA-N
XLogP1.84
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.84
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-[[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740840
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344252
3-benzyl-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 43513464
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344251
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
N-propyl-1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352276
N-ethyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62853169
1-methoxy-N-propyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63352401
3-chloro-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63724127
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62552583

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 62551885) is 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is ClCCc1nc(Cc2cccnc2)no1.
What is the InChIKey of 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is UKVMAWOOGMFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-4-3-10-13-9(14-15-10)6-8-2-1-5-12-7-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 223.66 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62551885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).