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

C16H28N2O2 — CID 154790116

IUPAC4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIInChI=1S/C16H28N2O2/c1-10(13-17-11(8-19-13)15(2,3)4)14-18-12(9-20-14)16(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyBRSHHWHYCIYREP-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.31
Rot. Bonds2

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

4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 154790116) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID154790116
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1
InChIInChI=1S/C16H28N2O2/c1-10(13-17-11(8-19-13)15(2,3)4)14-18-12(9-20-14)16(5,6)7/h10-12H,8-9H2,1-7H3
InChIKeyBRSHHWHYCIYREP-UHFFFAOYSA-N
XLogP3.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 59893979
(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-2-(2,3,3-trimethylbutan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11629966
bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 175334723
(4S)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11680136
(4R)-4-tert-butyl-2-[1-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylprop-1-enyl]-4,5-dihydro-1,3-oxazole
CID 170900029
1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol
CID 139716126
(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
CID 174668146
(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 101347334
benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
CID 12968116
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
CID 72835928
CID 72835928

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (CID 154790116) is 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is CC(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1.
What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BRSHHWHYCIYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-10(13-17-11(8-19-13)15(2,3)4)14-18-12(9-20-14)16(5,6)7/h10-12H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 280.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).