4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole

C29H38N2O2 — CID 154730338

IUPAC4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3
InChIKeyGKBCJHLRVUHQRT-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.14
Rot. Bonds6

About 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 154730338) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-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)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID154730338
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3
InChIKeyGKBCJHLRVUHQRT-UHFFFAOYSA-N
XLogP6.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.14
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)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
2-[(4S)-2-tert-butyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-ol
CID 59101168
(4S)-4-tert-butyl-2-(2-phenoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 58626939
(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
CID 15212537
[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-bis(2-methylphenyl)methanol
CID 11484515
(4S)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11680136
(4S)-4-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11629966
4-butan-2-yl-2-(2-phenylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 70584316
2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)-1,3-diphenylpropan-2-ol
CID 20596642
(4S)-4-tert-butyl-2-[2-(2,2-dimethylpropoxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101382780
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
copper;(4S)-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;bis(hexafluoroantimony(1-))
CID 16689685

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)-1,3-diphenylpropan-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)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole (CID 154730338) is 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-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)-1,3-diphenylpropan-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)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=NC(C(C)(C)C)CO2)=N1.
What is the InChIKey of 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GKBCJHLRVUHQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 446.64 g/mol, XLogP of 6.14, 6 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)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154730338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).