tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate

C18H24N2O5 — CID 134974222

IUPACtert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-12(19-15(22)25-17(2,3)4)18(5)14(21)24-16(23)20(18)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,19,22)/t12-,18+/m0/s1
InChIKeyYZSMETCTQIKUPJ-KPZWWZAWSA-N
MW348.40 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate (PubChem CID 134974222) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate
PubChem CID134974222
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nametert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-12(19-15(22)25-17(2,3)4)18(5)14(21)24-16(23)20(18)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,19,22)/t12-,18+/m0/s1
InChIKeyYZSMETCTQIKUPJ-KPZWWZAWSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate (CID 134974222) is tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@]1(C)C(=O)OC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The InChIKey is YZSMETCTQIKUPJ-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(19-15(22)25-17(2,3)4)18(5)14(21)24-16(23)20(18)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3,(H,19,22)/t12-,18+/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(4R)-3-benzyl-4-methyl-2,5-dioxo-1,3-oxazolidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 134974222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).