(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole

C22H31NO — CID 174626772

IUPAC(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole
SMILESC1=N[C@H](Cc2ccccc2)C(C2CCCCC2)(C2CCCCC2)O1
InChIInChI=1S/C22H31NO/c1-4-10-18(11-5-1)16-21-22(24-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,17,19-21H,2-3,6-9,12-16H2/t21-/m1/s1
InChIKeyZDTUCPQVYLFTCU-OAQYLSRUSA-N
MW325.50 g/mol
LogP5.56
Rot. Bonds4

About (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole

(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole (PubChem CID 174626772) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole
PubChem CID174626772
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole
SMILESC1=N[C@H](Cc2ccccc2)C(C2CCCCC2)(C2CCCCC2)O1
InChIInChI=1S/C22H31NO/c1-4-10-18(11-5-1)16-21-22(24-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,17,19-21H,2-3,6-9,12-16H2/t21-/m1/s1
InChIKeyZDTUCPQVYLFTCU-OAQYLSRUSA-N
XLogP5.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole (CID 174626772) is (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole is C1=N[C@H](Cc2ccccc2)C(C2CCCCC2)(C2CCCCC2)O1.
What is the InChIKey of (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole?
The InChIKey is ZDTUCPQVYLFTCU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H31NO/c1-4-10-18(11-5-1)16-21-22(24-17-23-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,17,19-21H,2-3,6-9,12-16H2/t21-/m1/s1.
What are the key properties of (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole?
(4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole has a molecular weight of 325.50 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-5,5-dicyclohexyl-4H-1,3-oxazole is sourced from PubChem (CID 174626772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).