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

C10H17ClN2O — CID 43513337

IUPAC2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(CCCCl)o1
InChIInChI=1S/C10H17ClN2O/c1-3-8(4-2)10-13-12-9(14-10)6-5-7-11/h8H,3-7H2,1-2H3
InChIKeyYKYORIRGQDQCAE-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.14
Rot. Bonds6

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

2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole (PubChem CID 43513337) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
PubChem CID43513337
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(CCCCl)o1
InChIInChI=1S/C10H17ClN2O/c1-3-8(4-2)10-13-12-9(14-10)6-5-7-11/h8H,3-7H2,1-2H3
InChIKeyYKYORIRGQDQCAE-UHFFFAOYSA-N
XLogP3.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
2-(chloromethyl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 54852620
N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 55043742
2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 65199305
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(chloromethyl)-5-heptan-4-yl-1,3,4-oxadiazole
CID 82984323
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513036
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
CID 62859102
2-(2-chloroethyl)-5-(1-methylsulfonylethyl)-1,3,4-oxadiazole
CID 104517851

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole (CID 43513337) is 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole is CCC(CC)c1nnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole?
The InChIKey is YKYORIRGQDQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-3-8(4-2)10-13-12-9(14-10)6-5-7-11/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole has a molecular weight of 216.71 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 43513337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).