benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate

C12H12N2O5 — CID 19091323

IUPACbenzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate
SMILESO=C(NCC1NC(=O)OC1=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10-9(14-12(17)19-10)6-13-11(16)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,17)
InChIKeyVCOGURCTJNSGEN-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.55
Rot. Bonds4

About benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate

benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate (PubChem CID 19091323) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate
PubChem CID19091323
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Namebenzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate
SMILESO=C(NCC1NC(=O)OC1=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10-9(14-12(17)19-10)6-13-11(16)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,17)
InChIKeyVCOGURCTJNSGEN-UHFFFAOYSA-N
XLogP0.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 4868209
2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid;benzyl N-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butyl]carbamate
CID 167674288
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 159699809
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
CID 166139678
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl N-[5-[(2S)-3-oxoaziridin-2-yl]pentyl]carbamate
CID 122390563

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate (CID 19091323) is benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate is O=C(NCC1NC(=O)OC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate?
The InChIKey is VCOGURCTJNSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-10-9(14-12(17)19-10)6-13-11(16)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,17).
What are the key properties of benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate?
benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate has a molecular weight of 264.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2,5-dioxo-1,3-oxazolidin-4-yl)methyl]carbamate is sourced from PubChem (CID 19091323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).