[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C20H17NO4 — CID 7547612

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-13-17(14(2)25-21-13)20(23)24-19(16-11-7-4-8-12-16)18(22)15-9-5-3-6-10-15/h3-12,19H,1-2H3/t19-/m0/s1
InChIKeyDOSPXKWTPOWLPD-IBGZPJMESA-N
MW335.36 g/mol
LogP4.07
Rot. Bonds5

About [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 7547612) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID7547612
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-13-17(14(2)25-21-13)20(23)24-19(16-11-7-4-8-12-16)18(22)15-9-5-3-6-10-15/h3-12,19H,1-2H3/t19-/m0/s1
InChIKeyDOSPXKWTPOWLPD-IBGZPJMESA-N
XLogP4.07
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550447
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42903866
[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726289
(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586
[(1S)-2-anilino-2-oxo-1-phenylethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9452044
[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 1455054
[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549356
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549665
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 7547612) is [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is DOSPXKWTPOWLPD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17NO4/c1-13-17(14(2)25-21-13)20(23)24-19(16-11-7-4-8-12-16)18(22)15-9-5-3-6-10-15/h3-12,19H,1-2H3/t19-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7547612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).