2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole

C16H19ClN2O — CID 143940436

IUPAC2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole
SMILESClCc1nnc(C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C16H19ClN2O/c17-11-14-18-19-16(20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyKCLNCXQLLSSJKV-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.52
Rot. Bonds4

About 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole (PubChem CID 143940436) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole
PubChem CID143940436
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole
SMILESClCc1nnc(C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C16H19ClN2O/c17-11-14-18-19-16(20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyKCLNCXQLLSSJKV-UHFFFAOYSA-N
XLogP4.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.52
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 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole (CID 143940436) is 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole is ClCc1nnc(C(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is KCLNCXQLLSSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-11-14-18-19-16(20-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2.
What are the key properties of 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 290.79 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 143940436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).