(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole

C27H50N2O2 — CID 18345539

About (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole

(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole (PubChem CID 18345539) has the molecular formula C27H50N2O2 and a molecular weight of 434.71 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole.

Molecular Properties

• Compound Name: (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
• PubChem CID: 18345539
• Molecular Formula: C27H50N2O2
• Molecular Weight: 434.71 g/mol
• Exact Mass: 434.39
• IUPAC Name: (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
• SMILES: CC(C)C1(C(C)C)OC(CC2=N[C@H](C(C)(C)C)C(C(C)C)(C(C)C)O2)=N[C@@H]1C(C)(C)C
• InChI: InChI=1S/C27H50N2O2/c1-16(2)26(17(3)4)22(24(9,10)11)28-20(30-26)15-21-29-23(25(12,13)14)27(31-21,18(5)6)19(7)8/h16-19,22-23H,15H2,1-14H3/t22-,23-/m1/s1
• InChIKey: HCJRZCQZNVCOCO-DHIUTWEWSA-N
• XLogP: 7.16
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.71
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole?

The IUPAC name of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole (CID 18345539) is (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole.

What is the SMILES notation for (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole?

The canonical SMILES for (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole is CC(C)C1(C(C)C)OC(CC2=N[C@H](C(C)(C)C)C(C(C)C)(C(C)C)O2)=N[C@@H]1C(C)(C)C.

What is the InChIKey of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole?

The InChIKey is HCJRZCQZNVCOCO-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H50N2O2/c1-16(2)26(17(3)4)22(24(9,10)11)28-20(30-26)15-21-29-23(25(12,13)14)27(31-21,18(5)6)19(7)8/h16-19,22-23H,15H2,1-14H3/t22-,23-/m1/s1.

What are the key properties of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole?

(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole has a molecular weight of 434.71 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole is sourced from PubChem (CID 18345539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).