2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole

C7H11ClN2O — CID 43513036

IUPAC2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(C)Cl)o1
InChIInChI=1S/C7H11ClN2O/c1-3-4-6-9-10-7(11-6)5(2)8/h5H,3-4H2,1-2H3
InChIKeyDPJWRBNJNOETTQ-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.32
Rot. Bonds3

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

2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 43513036) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
PubChem CID43513036
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(C(C)Cl)o1
InChIInChI=1S/C7H11ClN2O/c1-3-4-6-9-10-7(11-6)5(2)8/h5H,3-4H2,1-2H3
InChIKeyDPJWRBNJNOETTQ-UHFFFAOYSA-N
XLogP2.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-chloroethyl)-5-propyl-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-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
2-(1-chloroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 16768352
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65428734
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62070943
2-(1-chloroethyl)-5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazole
CID 55087095
5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
2-[butyl-[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106956989

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole (CID 43513036) is 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(C(C)Cl)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is DPJWRBNJNOETTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-4-6-9-10-7(11-6)5(2)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 174.63 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 43513036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).