(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole

C21H35N3O3 — CID 134830566

IUPAC(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)CO1
InChIInChI=1S/C21H35N3O3/c1-12(2)16-10-26-19(23-16)21(7,20-24-17(11-27-20)13(3)4)8-15-9-25-18(22-15)14(5)6/h12-14,16-18H,8-11H2,1-7H3/t16-,17-,18-/m1/s1
InChIKeyORDANHSBGLXGNH-KZNAEPCWSA-N
MW377.53 g/mol
LogP3.74
Rot. Bonds7

About (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole

(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole (PubChem CID 134830566) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole
PubChem CID134830566
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)CO1
InChIInChI=1S/C21H35N3O3/c1-12(2)16-10-26-19(23-16)21(7,20-24-17(11-27-20)13(3)4)8-15-9-25-18(22-15)14(5)6/h12-14,16-18H,8-11H2,1-7H3/t16-,17-,18-/m1/s1
InChIKeyORDANHSBGLXGNH-KZNAEPCWSA-N
XLogP3.74
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 157786330
4-Tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-4-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 159797256
(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
CID 15896844
4-(Propan-2-yl)-2-{2-[(4S)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl}-4,5-dihydro-1,3-oxazole
CID 57350167
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 91994146
Tris((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 168436123

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole?
The IUPAC name of (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole (CID 134830566) is (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole is CC(C)[C@@H]1N=C(CC(C)(C2=N[C@@H](C(C)C)CO2)C2=N[C@@H](C(C)C)CO2)CO1.
What is the InChIKey of (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole?
The InChIKey is ORDANHSBGLXGNH-KZNAEPCWSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-12(2)16-10-26-19(23-16)21(7,20-24-17(11-27-20)13(3)4)8-15-9-25-18(22-15)14(5)6/h12-14,16-18H,8-11H2,1-7H3/t16-,17-,18-/m1/s1.
What are the key properties of (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole?
(2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole has a molecular weight of 377.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-2-propan-2-yl-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134830566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).