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

C14H23ClN2O — CID 43513173

IUPAC2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCCCCC1CCC(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C14H23ClN2O/c1-2-3-4-11-5-7-12(8-6-11)14-17-16-13(18-14)9-10-15/h11-12H,2-10H2,1H3
InChIKeyRXGDVDXXIRGHBZ-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.31
Rot. Bonds6

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

2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (PubChem CID 43513173) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
PubChem CID43513173
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCCCCC1CCC(c2nnc(CCCl)o2)CC1
InChIInChI=1S/C14H23ClN2O/c1-2-3-4-11-5-7-12(8-6-11)14-17-16-13(18-14)9-10-15/h11-12H,2-10H2,1H3
InChIKeyRXGDVDXXIRGHBZ-UHFFFAOYSA-N
XLogP4.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-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-(4-butylcyclohexyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43164921
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(2-chloroethyl)-5-propyl-1,3,4-oxadiazole
CID 43513170
2-(2-chloroethyl)-5-(5-methyloxolan-2-yl)-1,3,4-oxadiazole
CID 81330388
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
2-(2-chloroethyl)-5-(3-propylpyrrolidin-1-yl)-1,3,4-oxadiazole
CID 106958438
5-(4-pentylcyclohexyl)-3H-1,3,4-oxadiazole-2-thione
CID 2763330
2-(4-butylcyclohexyl)-5-chloro-1,3-benzoxazol-6-amine
CID 115539761
1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (CID 43513173) is 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is CCCCC1CCC(c2nnc(CCCl)o2)CC1.
What is the InChIKey of 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The InChIKey is RXGDVDXXIRGHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-2-3-4-11-5-7-12(8-6-11)14-17-16-13(18-14)9-10-15/h11-12H,2-10H2,1H3.
What are the key properties of 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole has a molecular weight of 270.80 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).