5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole

C10H15FN2O — CID 157465612

IUPAC5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C)(F)CC2)n1
InChIInChI=1S/C10H15FN2O/c1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8/h8H,3-6H2,1-2H3
InChIKeyXMLZWYSUZJFHSX-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.76
Rot. Bonds1

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

5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 157465612) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole
PubChem CID157465612
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C)(F)CC2)n1
InChIInChI=1S/C10H15FN2O/c1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8/h8H,3-6H2,1-2H3
InChIKeyXMLZWYSUZJFHSX-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole (CID 157465612) is 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCC(C)(F)CC2)n1.
What is the InChIKey of 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is XMLZWYSUZJFHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7-12-9(14-13-7)8-3-5-10(2,11)6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole?
5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 198.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-4-methylcyclohexyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 157465612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).