5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole

C11H17NO — CID 123661199

IUPAC5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole
SMILESCc1cnc(C2CCC(C)CC2)o1
InChIInChI=1S/C11H17NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h7-8,10H,3-6H2,1-2H3
InChIKeyGGUBTPJGZOUBDR-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.28
Rot. Bonds1

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

5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole (PubChem CID 123661199) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole
PubChem CID123661199
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole
SMILESCc1cnc(C2CCC(C)CC2)o1
InChIInChI=1S/C11H17NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h7-8,10H,3-6H2,1-2H3
InChIKeyGGUBTPJGZOUBDR-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole (CID 123661199) is 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole is Cc1cnc(C2CCC(C)CC2)o1.
What is the InChIKey of 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole?
The InChIKey is GGUBTPJGZOUBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole?
5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylcyclohexyl)-1,3-oxazole is sourced from PubChem (CID 123661199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).