3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole

C15H25ClN2O — CID 65402223

IUPAC3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)C1CCC(c2noc(CCCCl)n2)CC1
InChIInChI=1S/C15H25ClN2O/c1-15(2,3)12-8-6-11(7-9-12)14-17-13(19-18-14)5-4-10-16/h11-12H,4-10H2,1-3H3
InChIKeySVJLDAQJZUMNQN-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.56
Rot. Bonds4

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

3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole (PubChem CID 65402223) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
PubChem CID65402223
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
SMILESCC(C)(C)C1CCC(c2noc(CCCCl)n2)CC1
InChIInChI=1S/C15H25ClN2O/c1-15(2,3)12-8-6-11(7-9-12)14-17-13(19-18-14)5-4-10-16/h11-12H,4-10H2,1-3H3
InChIKeySVJLDAQJZUMNQN-UHFFFAOYSA-N
XLogP4.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole (CID 65402223) is 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole is CC(C)(C)C1CCC(c2noc(CCCCl)n2)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The InChIKey is SVJLDAQJZUMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-15(2,3)12-8-6-11(7-9-12)14-17-13(19-18-14)5-4-10-16/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole has a molecular weight of 284.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65402223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).