2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol

C20H23NO2 — CID 135432223

IUPAC2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
SMILESCC(C)(C)c1cccc(C2=N[C@@H](Cc3ccccc3)CO2)c1O
InChIInChI=1S/C20H23NO2/c1-20(2,3)17-11-7-10-16(18(17)22)19-21-15(13-23-19)12-14-8-5-4-6-9-14/h4-11,15,22H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyUJZNOLVKCRXMSW-HNNXBMFYSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds3

About 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol

2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol (PubChem CID 135432223) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
PubChem CID135432223
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
SMILESCC(C)(C)c1cccc(C2=N[C@@H](Cc3ccccc3)CO2)c1O
InChIInChI=1S/C20H23NO2/c1-20(2,3)17-11-7-10-16(18(17)22)19-21-15(13-23-19)12-14-8-5-4-6-9-14/h4-11,15,22H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyUJZNOLVKCRXMSW-HNNXBMFYSA-N
XLogP4.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
(4R)-4-benzyl-2-[6-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
CID 25139688
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 46930892
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
CID 135070410
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
CID 100967036

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol?
The IUPAC name of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol (CID 135432223) is 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol.
What is the SMILES notation for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol?
The canonical SMILES for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol is CC(C)(C)c1cccc(C2=N[C@@H](Cc3ccccc3)CO2)c1O.
What is the InChIKey of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol?
The InChIKey is UJZNOLVKCRXMSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)17-11-7-10-16(18(17)22)19-21-15(13-23-19)12-14-8-5-4-6-9-14/h4-11,15,22H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol?
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol has a molecular weight of 309.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol is sourced from PubChem (CID 135432223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).