4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole

C15H15NO — CID 145233726

IUPAC4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole
SMILESC1=CC(c2ncoc2C2=CCCC=C2)=CCC1
InChIInChI=1S/C15H15NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h3,5,7-11H,1-2,4,6H2
InChIKeyWUJZNKRMIGGRDO-UHFFFAOYSA-N
MW225.29 g/mol
LogP4.14
Rot. Bonds2

About 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole

4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole (PubChem CID 145233726) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole
PubChem CID145233726
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole
SMILESC1=CC(c2ncoc2C2=CCCC=C2)=CCC1
InChIInChI=1S/C15H15NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h3,5,7-11H,1-2,4,6H2
InChIKeyWUJZNKRMIGGRDO-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole?
The IUPAC name of 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole (CID 145233726) is 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole.
What is the SMILES notation for 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole?
The canonical SMILES for 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole is C1=CC(c2ncoc2C2=CCCC=C2)=CCC1.
What is the InChIKey of 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole?
The InChIKey is WUJZNKRMIGGRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h3,5,7-11H,1-2,4,6H2.
What are the key properties of 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole?
4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole has a molecular weight of 225.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole is sourced from PubChem (CID 145233726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).