(4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C27H40N2O — CID 164890574

About (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 164890574) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 164890574
• Molecular Formula: C27H40N2O
• Molecular Weight: 408.63 g/mol
• Exact Mass: 408.31
• IUPAC Name: (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
• SMILES: c1cc(C2=N[C@H](C3CCCCC3)CO2)nc(C(C2CCCCC2)C2CCCCC2)c1
• InChI: InChI=1S/C27H40N2O/c1-4-11-20(12-5-1)25-19-30-27(29-25)24-18-10-17-23(28-24)26(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h10,17-18,20-22,25-26H,1-9,11-16,19H2/t25-/m0/s1
• InChIKey: LZPSNZYMTLLNPR-VWLOTQADSA-N
• XLogP: 7.05
• TPSA: 34.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.63
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 164890574) is (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1cc(C2=N[C@H](C3CCCCC3)CO2)nc(C(C2CCCCC2)C2CCCCC2)c1.

What is the InChIKey of (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?

The InChIKey is LZPSNZYMTLLNPR-VWLOTQADSA-N. The full InChI is InChI=1S/C27H40N2O/c1-4-11-20(12-5-1)25-19-30-27(29-25)24-18-10-17-23(28-24)26(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h10,17-18,20-22,25-26H,1-9,11-16,19H2/t25-/m0/s1.

What are the key properties of (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?

(4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 408.63 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-cyclohexyl-2-[6-(dicyclohexylmethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164890574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).