4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole

C15H13NO — CID 123194769

IUPAC4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole
SMILESC1=CC(c2ncoc2-c2ccccc2)=CCC1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2-3,5-11H,1,4H2
InChIKeyXOKSNSKXGLNQCO-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.07
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole

4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole (PubChem CID 123194769) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole
PubChem CID123194769
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole
SMILESC1=CC(c2ncoc2-c2ccccc2)=CCC1
InChIInChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2-3,5-11H,1,4H2
InChIKeyXOKSNSKXGLNQCO-UHFFFAOYSA-N
XLogP4.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-di(cyclohexa-1,5-dien-1-yl)-1,3-oxazole
CID 145233726
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-cyclohexa-1,5-dien-1-yl-4-phenylisoquinoline
CID 140797896
5-(4-tert-butylphenyl)-4-phenyl-1,3-oxazole
CID 69005370
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
CID 129170615
4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
CID 144834752

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole (CID 123194769) is 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole is C1=CC(c2ncoc2-c2ccccc2)=CCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole?
The InChIKey is XOKSNSKXGLNQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h2-3,5-11H,1,4H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole?
4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole has a molecular weight of 223.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 123194769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).