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

C21H38N2O2 — CID 18345512

IUPAC(4R)-4-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
SMILESCC(C)C1(C(C)C)OC(CC2=N[C@H](C)C(C(C)C)(C(C)C)O2)=N[C@@H]1C
InChIInChI=1S/C21H38N2O2/c1-12(2)20(13(3)4)16(9)22-18(24-20)11-19-23-17(10)21(25-19,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17-/m1/s1
InChIKeyAGRPUFIURSUMRP-IAGOWNOFSA-N
MW350.55 g/mol
LogP5.11
Rot. Bonds6

About (4R)-4-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-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 18345512) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (4R)-4-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
PubChem CID18345512
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name(4R)-4-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
SMILESCC(C)C1(C(C)C)OC(CC2=N[C@H](C)C(C(C)C)(C(C)C)O2)=N[C@@H]1C
InChIInChI=1S/C21H38N2O2/c1-12(2)20(13(3)4)16(9)22-18(24-20)11-19-23-17(10)21(25-19,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17-/m1/s1
InChIKeyAGRPUFIURSUMRP-IAGOWNOFSA-N
XLogP5.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole (CID 18345512) is (4R)-4-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-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)O2)=N[C@@H]1C.
What is the InChIKey of (4R)-4-methyl-2-[[(4R)-4-methyl-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 AGRPUFIURSUMRP-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-12(2)20(13(3)4)16(9)22-18(24-20)11-19-23-17(10)21(25-19,14(5)6)15(7)8/h12-17H,11H2,1-10H3/t16-,17-/m1/s1.
What are the key properties of (4R)-4-methyl-2-[[(4R)-4-methyl-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-methyl-2-[[(4R)-4-methyl-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 350.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-[[(4R)-4-methyl-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 18345512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).