2-cyclohexyl-4-propan-2-yl-1,3-oxazole

C12H19NO — CID 89029975

IUPAC2-cyclohexyl-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(C2CCCCC2)n1
InChIInChI=1S/C12H19NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyCELGUFAIFUJLAI-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.85
Rot. Bonds2

About 2-cyclohexyl-4-propan-2-yl-1,3-oxazole

2-cyclohexyl-4-propan-2-yl-1,3-oxazole (PubChem CID 89029975) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclohexyl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-4-propan-2-yl-1,3-oxazole
PubChem CID89029975
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclohexyl-4-propan-2-yl-1,3-oxazole
SMILESCC(C)c1coc(C2CCCCC2)n1
InChIInChI=1S/C12H19NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKeyCELGUFAIFUJLAI-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-cyclohexyl-4-propan-2-yl-1,3-oxazole (CID 89029975) is 2-cyclohexyl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-cyclohexyl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-cyclohexyl-4-propan-2-yl-1,3-oxazole is CC(C)c1coc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-4-propan-2-yl-1,3-oxazole?
The InChIKey is CELGUFAIFUJLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-propan-2-yl-1,3-oxazole?
2-cyclohexyl-4-propan-2-yl-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 89029975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).