3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole

C12H19ClN2O — CID 103095705

IUPAC3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CCC(C)CC2)n1
InChIInChI=1S/C12H19ClN2O/c1-3-10(13)11-14-12(16-15-11)9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyYVFJRNDOPFMTRN-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.05
Rot. Bonds3

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

3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 103095705) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
PubChem CID103095705
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(C2CCC(C)CC2)n1
InChIInChI=1S/C12H19ClN2O/c1-3-10(13)11-14-12(16-15-11)9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyYVFJRNDOPFMTRN-UHFFFAOYSA-N
XLogP4.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
CID 103095417
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470
3-(1-chloropropyl)-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 103095703
3-(1-chloroethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 102661013
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096126
3-(1-chlorobutyl)-5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 107002023
1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434
1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704309

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole (CID 103095705) is 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole is CCC(Cl)c1noc(C2CCC(C)CC2)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is YVFJRNDOPFMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-10(13)11-14-12(16-15-11)9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 242.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 103095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).