1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol

C11H21NO2 — CID 139716126

IUPAC1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-7-14-9(12-8)6-11(4,5)13/h8,13H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyIHMFIJMOXUPDEZ-MRVPVSSYSA-N
MW199.29 g/mol
LogP1.99
Rot. Bonds2

About 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol

1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol (PubChem CID 139716126) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol
PubChem CID139716126
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)8-7-14-9(12-8)6-11(4,5)13/h8,13H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyIHMFIJMOXUPDEZ-MRVPVSSYSA-N
XLogP1.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol (CID 139716126) is 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol is CC(C)(O)CC1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
The InChIKey is IHMFIJMOXUPDEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)8-7-14-9(12-8)6-11(4,5)13/h8,13H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol?
1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol has a molecular weight of 199.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 139716126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).