(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol

C11H21NO2 — CID 146018742

IUPAC(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
SMILESCCCC[C@@H]1ON=C(C(C)(C)C)[C@H]1O
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9(13)10(12-14-8)11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyQAEAEVSSXWKYRZ-IUCAKERBSA-N
MW199.29 g/mol
LogP2.34
Rot. Bonds3

About (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol

(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol (PubChem CID 146018742) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
PubChem CID146018742
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol
SMILESCCCC[C@@H]1ON=C(C(C)(C)C)[C@H]1O
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9(13)10(12-14-8)11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyQAEAEVSSXWKYRZ-IUCAKERBSA-N
XLogP2.34
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol?
The IUPAC name of (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol (CID 146018742) is (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol.
What is the SMILES notation for (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol?
The canonical SMILES for (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol is CCCC[C@@H]1ON=C(C(C)(C)C)[C@H]1O.
What is the InChIKey of (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol?
The InChIKey is QAEAEVSSXWKYRZ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9(13)10(12-14-8)11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol?
(4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol has a molecular weight of 199.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-butyl-3-tert-butyl-4,5-dihydro-1,2-oxazol-4-ol is sourced from PubChem (CID 146018742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).