3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole

C10H15ClN2O2 — CID 164649556

IUPAC3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(CCl)no2)CCCCC1
InChIInChI=1S/C10H15ClN2O2/c1-14-10(5-3-2-4-6-10)9-12-8(7-11)13-15-9/h2-7H2,1H3
InChIKeyAYUWUPYUMRTXAF-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.61
Rot. Bonds3

About 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole

3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole (PubChem CID 164649556) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole
PubChem CID164649556
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(CCl)no2)CCCCC1
InChIInChI=1S/C10H15ClN2O2/c1-14-10(5-3-2-4-6-10)9-12-8(7-11)13-15-9/h2-7H2,1H3
InChIKeyAYUWUPYUMRTXAF-UHFFFAOYSA-N
XLogP2.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole (CID 164649556) is 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole is COC1(c2nc(CCl)no2)CCCCC1.
What is the InChIKey of 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole?
The InChIKey is AYUWUPYUMRTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-14-10(5-3-2-4-6-10)9-12-8(7-11)13-15-9/h2-7H2,1H3.
What are the key properties of 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole?
3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole has a molecular weight of 230.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 164649556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).