tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate

C12H20N2O4 — CID 134966211

IUPACtert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate
SMILESC=C[C@H]1OC(=O)N[C@@H]1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-5-9-8(14-11(16)17-9)6-7-13-10(15)18-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)(H,14,16)/t8-,9-/m1/s1
InChIKeyNFIZYKPGDJYGHP-RKDXNWHRSA-N
MW256.30 g/mol
LogP1.56
Rot. Bonds4

About tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate

tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate (PubChem CID 134966211) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate
PubChem CID134966211
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate
SMILESC=C[C@H]1OC(=O)N[C@@H]1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-5-9-8(14-11(16)17-9)6-7-13-10(15)18-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)(H,14,16)/t8-,9-/m1/s1
InChIKeyNFIZYKPGDJYGHP-RKDXNWHRSA-N
XLogP1.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11550047
(4R,5R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 176427136
(4R,5S)-5-ethenyl-4-ethyl-1,3-oxazolidin-2-one
CID 10749273
(4S)-5-ethenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 11205891
5-Ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325962
(4S,5S)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14325963
(4R,5S)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 45095959
rac-tert-butyl N-[(2R,3S)-2-ethenyloxolan-3-yl]carbamate
CID 165913681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate (CID 134966211) is tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate is C=C[C@H]1OC(=O)N[C@@H]1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
The InChIKey is NFIZYKPGDJYGHP-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-9-8(14-11(16)17-9)6-7-13-10(15)18-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)(H,14,16)/t8-,9-/m1/s1.
What are the key properties of tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate?
tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate has a molecular weight of 256.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 134966211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).