5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

C10H15ClN2O2 — CID 43513448

IUPAC5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESClCCCc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H15ClN2O2/c11-5-1-4-10-12-9(13-15-10)7-8-3-2-6-14-8/h8H,1-7H2
InChIKeyZPMYLGUUBKASQB-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.96
Rot. Bonds5

About 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole

5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 43513448) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID43513448
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
SMILESClCCCc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H15ClN2O2/c11-5-1-4-10-12-9(13-15-10)7-8-3-2-6-14-8/h8H,1-7H2
InChIKeyZPMYLGUUBKASQB-UHFFFAOYSA-N
XLogP1.96
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.96
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

3-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 45251452
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
5-(3-chloropropyl)-3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazole
CID 65141260
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
5-(3-chloropropyl)-3-cyclobutyl-1,2,4-oxadiazole
CID 64981958

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole (CID 43513448) is 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole is ClCCCc1nc(CC2CCCO2)no1.
What is the InChIKey of 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZPMYLGUUBKASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-5-1-4-10-12-9(13-15-10)7-8-3-2-6-14-8/h8H,1-7H2.
What are the key properties of 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole?
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 230.69 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43513448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).