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

C25H46N2O2 — CID 18345500

IUPAC(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole
SMILESCC(C)[C@H]1N=C(CC2=N[C@H](C(C)C)C(C(C)C)(C(C)C)O2)OC1(C(C)C)C(C)C
InChIInChI=1S/C25H46N2O2/c1-14(2)22-24(16(5)6,17(7)8)28-20(26-22)13-21-27-23(15(3)4)25(29-21,18(9)10)19(11)12/h14-19,22-23H,13H2,1-12H3/t22-,23-/m1/s1
InChIKeyNNUMHCIFRVSLLG-DHIUTWEWSA-N
MW406.66 g/mol
LogP6.38
Rot. Bonds8

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

(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole (PubChem CID 18345500) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole
PubChem CID18345500
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole
SMILESCC(C)[C@H]1N=C(CC2=N[C@H](C(C)C)C(C(C)C)(C(C)C)O2)OC1(C(C)C)C(C)C
InChIInChI=1S/C25H46N2O2/c1-14(2)22-24(16(5)6,17(7)8)28-20(26-22)13-21-27-23(15(3)4)25(29-21,18(9)10)19(11)12/h14-19,22-23H,13H2,1-12H3/t22-,23-/m1/s1
InChIKeyNNUMHCIFRVSLLG-DHIUTWEWSA-N
XLogP6.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole?
The IUPAC name of (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole (CID 18345500) is (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole.
What is the SMILES notation for (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole?
The canonical SMILES for (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole is CC(C)[C@H]1N=C(CC2=N[C@H](C(C)C)C(C(C)C)(C(C)C)O2)OC1(C(C)C)C(C)C.
What is the InChIKey of (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole?
The InChIKey is NNUMHCIFRVSLLG-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-14(2)22-24(16(5)6,17(7)8)28-20(26-22)13-21-27-23(15(3)4)25(29-21,18(9)10)19(11)12/h14-19,22-23H,13H2,1-12H3/t22-,23-/m1/s1.
What are the key properties of (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole?
(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole has a molecular weight of 406.66 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole is sourced from PubChem (CID 18345500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).