2-chloro-5-cyclohexyl-1,3,4-oxadiazole

C8H11ClN2O — CID 82281079

IUPAC2-chloro-5-cyclohexyl-1,3,4-oxadiazole
SMILESClc1nnc(C2CCCCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeySAUXBHIIBKFYHV-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-5-cyclohexyl-1,3,4-oxadiazole

2-chloro-5-cyclohexyl-1,3,4-oxadiazole (PubChem CID 82281079) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-5-cyclohexyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-cyclohexyl-1,3,4-oxadiazole
PubChem CID82281079
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-5-cyclohexyl-1,3,4-oxadiazole
SMILESClc1nnc(C2CCCCC2)o1
InChIInChI=1S/C8H11ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeySAUXBHIIBKFYHV-UHFFFAOYSA-N
XLogP2.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexyl-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-cyclohexyl-1,3,4-oxadiazole (CID 82281079) is 2-chloro-5-cyclohexyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-cyclohexyl-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-cyclohexyl-1,3,4-oxadiazole is Clc1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-chloro-5-cyclohexyl-1,3,4-oxadiazole?
The InChIKey is SAUXBHIIBKFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-chloro-5-cyclohexyl-1,3,4-oxadiazole?
2-chloro-5-cyclohexyl-1,3,4-oxadiazole has a molecular weight of 186.64 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexyl-1,3,4-oxadiazole is sourced from PubChem (CID 82281079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).