4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole

C15H19NO — CID 91719300

IUPAC4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccccc2)C1C1CCCCC1
InChIInChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h2,5-6,9-12,14-15H,1,3-4,7-8H2
InChIKeyWIPIZPHKIDHASU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.94
Rot. Bonds2

About 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole

4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 91719300) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID91719300
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(c2ccccc2)C1C1CCCCC1
InChIInChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h2,5-6,9-12,14-15H,1,3-4,7-8H2
InChIKeyWIPIZPHKIDHASU-UHFFFAOYSA-N
XLogP3.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
5-methyl-5-phenyl-3-(3-phenylpropyl)-4H-1,2-oxazole
CID 11821988
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 24881471
5-Benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 24881751
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-Methyl-3-phenethyl-5-phenyl-4,5-dihydroisoxazole (enantiomeric mix)
CID 46888698
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585632
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585655
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole (CID 91719300) is 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole is C1=NOC(c2ccccc2)C1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is WIPIZPHKIDHASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h2,5-6,9-12,14-15H,1,3-4,7-8H2.
What are the key properties of 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole?
4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91719300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).