5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole

C11H19NO — CID 146290033

IUPAC5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-8-11(2,13-12-9)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyGGQVWZHADVBYJB-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds1

About 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole

5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole (PubChem CID 146290033) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole
PubChem CID146290033
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(C2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-8-11(2,13-12-9)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3
InChIKeyGGQVWZHADVBYJB-UHFFFAOYSA-N
XLogP3.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole (CID 146290033) is 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole is CC1=NOC(C)(C2CCCCC2)C1.
What is the InChIKey of 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole?
The InChIKey is GGQVWZHADVBYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-8-11(2,13-12-9)10-6-4-3-5-7-10/h10H,3-8H2,1-2H3.
What are the key properties of 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole?
5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 146290033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).