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

C20H36N2O2 — CID 159797256

IUPAC4-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
SMILESCC(C)CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIInChI=1S/C20H36N2O2/c1-13(2)10-20(9,16-21-14(11-23-16)18(3,4)5)17-22-15(12-24-17)19(6,7)8/h13-15H,10-12H2,1-9H3
InChIKeyNJIGYRNLKKZRHC-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.73
Rot. Bonds4

About 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

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 (PubChem CID 159797256) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159797256
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name4-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
SMILESCC(C)CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIInChI=1S/C20H36N2O2/c1-13(2)10-20(9,16-21-14(11-23-16)18(3,4)5)17-22-15(12-24-17)19(6,7)8/h13-15H,10-12H2,1-9H3
InChIKeyNJIGYRNLKKZRHC-UHFFFAOYSA-N
XLogP4.73
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

t-Bu-box, (S,S)-
CID 688208
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
1,2,2-Tris((S)-4-isopropyl-4,5-dihydro-2-oxazolyl)propane
CID 11485737
4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 372806
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495275
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933
(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
CID 101353528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1.
What is the InChIKey of 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?
The InChIKey is NJIGYRNLKKZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-13(2)10-20(9,16-21-14(11-23-16)18(3,4)5)17-22-15(12-24-17)19(6,7)8/h13-15H,10-12H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 336.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159797256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).