(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole

C11H21NO — CID 59893985

IUPAC(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyPTIVBLUCOGTHCE-QMMMGPOBSA-N
MW183.29 g/mol
LogP2.88
Rot. Bonds

About (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole

(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 59893985) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole
PubChem CID59893985
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1=N[C@H](C(C)(C)C)CO1
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyPTIVBLUCOGTHCE-QMMMGPOBSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole (CID 59893985) is (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1=N[C@H](C(C)(C)C)CO1.
What is the InChIKey of (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PTIVBLUCOGTHCE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole?
(4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 183.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59893985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).