tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate

C14H16N2O5 — CID 24977249

IUPACtert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)OC(=O)C1c1ccccc1
InChIInChI=1S/C14H16N2O5/c1-14(2,3)21-12(18)15-16-10(11(17)20-13(16)19)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,18)
InChIKeyBVYVVVKMKVSVBF-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate

tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate (PubChem CID 24977249) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
PubChem CID24977249
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Nametert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)OC(=O)C1c1ccccc1
InChIInChI=1S/C14H16N2O5/c1-14(2,3)21-12(18)15-16-10(11(17)20-13(16)19)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,18)
InChIKeyBVYVVVKMKVSVBF-UHFFFAOYSA-N
XLogP2.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3S)-2-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2,3-dihydropyrrole-4-carboxylate
CID 10948032
benzyl (4S)-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 131699861
tert-butyl (2S,3R)-3-phenyloxirane-2-carboxylate
CID 12750086
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
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CID 130003614
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
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tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-(2-oxo-1-phenylpiperidin-4-yl)carbamate
CID 118610098
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257
tert-butyl N-[3-(3-methyl-2-phenyl-2H-pyridin-1-yl)cyclopent-2-en-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate (CID 24977249) is tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate is CC(C)(C)OC(=O)NN1C(=O)OC(=O)C1c1ccccc1.
What is the InChIKey of tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate?
The InChIKey is BVYVVVKMKVSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-14(2,3)21-12(18)15-16-10(11(17)20-13(16)19)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate?
tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate has a molecular weight of 292.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate is sourced from PubChem (CID 24977249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).