tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

C21H23NO3 — CID 102395525

IUPACtert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C21H23NO3/c1-20(2,3)25-19(23)21(14-16-10-6-4-7-11-16)15-24-18(22-21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t21-/m1/s1
InChIKeyNNRIEIUNXLMRGW-OAQYLSRUSA-N
MW337.42 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 102395525) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID102395525
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nametert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C21H23NO3/c1-20(2,3)25-19(23)21(14-16-10-6-4-7-11-16)15-24-18(22-21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t21-/m1/s1
InChIKeyNNRIEIUNXLMRGW-OAQYLSRUSA-N
XLogP3.79
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
methyl (4S,5S)-5-[2-(azidomethyl)phenyl]-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327782
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
benzyl (4S)-2-(p-tolyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201336
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
Methyl 3-benzyl-5-phenyl-3H-1,2,4-dioxazole-3-carboxylate
CID 327647

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (CID 102395525) is tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is CC(C)(C)OC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1.
What is the InChIKey of tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is NNRIEIUNXLMRGW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO3/c1-20(2,3)25-19(23)21(14-16-10-6-4-7-11-16)15-24-18(22-21)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102395525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).