2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole

C18H19NO — CID 173192933

IUPAC2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole
SMILESC1=C(C2CCCCC2)Cc2cccc(-c3ncco3)c21
InChIInChI=1S/C18H19NO/c1-2-5-13(6-3-1)15-11-14-7-4-8-16(17(14)12-15)18-19-9-10-20-18/h4,7-10,12-13H,1-3,5-6,11H2
InChIKeyJXVRRGPFGJSVID-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.86
Rot. Bonds2

About 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole

2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole (PubChem CID 173192933) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole
PubChem CID173192933
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole
SMILESC1=C(C2CCCCC2)Cc2cccc(-c3ncco3)c21
InChIInChI=1S/C18H19NO/c1-2-5-13(6-3-1)15-11-14-7-4-8-16(17(14)12-15)18-19-9-10-20-18/h4,7-10,12-13H,1-3,5-6,11H2
InChIKeyJXVRRGPFGJSVID-UHFFFAOYSA-N
XLogP4.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole?
The IUPAC name of 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole (CID 173192933) is 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole is C1=C(C2CCCCC2)Cc2cccc(-c3ncco3)c21.
What is the InChIKey of 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole?
The InChIKey is JXVRRGPFGJSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-5-13(6-3-1)15-11-14-7-4-8-16(17(14)12-15)18-19-9-10-20-18/h4,7-10,12-13H,1-3,5-6,11H2.
What are the key properties of 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole?
2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1H-inden-4-yl)-1,3-oxazole is sourced from PubChem (CID 173192933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).