5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole

C17H19NO — CID 135064599

IUPAC5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole
SMILESC(#CC1C=CCCC1)c1ncc(C2C=CCCC2)o1
InChIInChI=1S/C17H19NO/c1-3-7-14(8-4-1)11-12-17-18-13-16(19-17)15-9-5-2-6-10-15/h3,5,7,9,13-15H,1-2,4,6,8,10H2
InChIKeyCXNMKBNLOGGBJA-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.21
Rot. Bonds1

About 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole

5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole (PubChem CID 135064599) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole
PubChem CID135064599
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole
SMILESC(#CC1C=CCCC1)c1ncc(C2C=CCCC2)o1
InChIInChI=1S/C17H19NO/c1-3-7-14(8-4-1)11-12-17-18-13-16(19-17)15-9-5-2-6-10-15/h3,5,7,9,13-15H,1-2,4,6,8,10H2
InChIKeyCXNMKBNLOGGBJA-UHFFFAOYSA-N
XLogP4.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole?
The IUPAC name of 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole (CID 135064599) is 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole?
The canonical SMILES for 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole is C(#CC1C=CCCC1)c1ncc(C2C=CCCC2)o1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole?
The InChIKey is CXNMKBNLOGGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-14(8-4-1)11-12-17-18-13-16(19-17)15-9-5-2-6-10-15/h3,5,7,9,13-15H,1-2,4,6,8,10H2.
What are the key properties of 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole?
5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole has a molecular weight of 253.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-2-(2-cyclohex-2-en-1-ylethynyl)-1,3-oxazole is sourced from PubChem (CID 135064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).