3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol

C31H33NO3 — CID 22633494

About 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol

3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol (PubChem CID 22633494) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol.

Molecular Properties

• Compound Name: 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol
• PubChem CID: 22633494
• Molecular Formula: C31H33NO3
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.25
• IUPAC Name: 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol
• SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(O)cc1CC1CCCCC1
• InChI: InChI=1S/C31H33NO3/c1-22-29(32-31(35-22)26-14-12-25(13-15-26)24-10-6-3-7-11-24)18-19-34-30-17-16-28(33)21-27(30)20-23-8-4-2-5-9-23/h3,6-7,10-17,21,23,33H,2,4-5,8-9,18-20H2,1H3
• InChIKey: WLSAQSRKFMLIBC-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 55.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol?

The IUPAC name of 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol (CID 22633494) is 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol.

What is the SMILES notation for 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol?

The canonical SMILES for 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(O)cc1CC1CCCCC1.

What is the InChIKey of 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol?

The InChIKey is WLSAQSRKFMLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c1-22-29(32-31(35-22)26-14-12-25(13-15-26)24-10-6-3-7-11-24)18-19-34-30-17-16-28(33)21-27(30)20-23-8-4-2-5-9-23/h3,6-7,10-17,21,23,33H,2,4-5,8-9,18-20H2,1H3.

What are the key properties of 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol?

3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol has a molecular weight of 467.61 g/mol, XLogP of 7.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclohexylmethyl)-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenol is sourced from PubChem (CID 22633494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).