2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole

C10H15ClN2O2 — CID 81330389

IUPAC2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(CCCCl)o2)O1
InChIInChI=1S/C10H15ClN2O2/c1-7-4-5-8(14-7)10-13-12-9(15-10)3-2-6-11/h7-8H,2-6H2,1H3
InChIKeyMHNIULZKONABTI-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole

2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole (PubChem CID 81330389) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
PubChem CID81330389
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
SMILESCC1CCC(c2nnc(CCCCl)o2)O1
InChIInChI=1S/C10H15ClN2O2/c1-7-4-5-8(14-7)10-13-12-9(15-10)3-2-6-11/h7-8H,2-6H2,1H3
InChIKeyMHNIULZKONABTI-UHFFFAOYSA-N
XLogP2.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole (CID 81330389) is 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole is CC1CCC(c2nnc(CCCCl)o2)O1.
What is the InChIKey of 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole?
The InChIKey is MHNIULZKONABTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7-4-5-8(14-7)10-13-12-9(15-10)3-2-6-11/h7-8H,2-6H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole has a molecular weight of 230.69 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 81330389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).