N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane

C10H17BrN2O4 — CID 142439181

IUPACN-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane
SMILESCC.CN1OC(=O)C(C(=O)NC2(Br)CC2)C1O
InChIInChI=1S/C8H11BrN2O4.C2H6/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8;1-2/h4,6,13H,2-3H2,1H3,(H,10,12);1-2H3
InChIKeyRGYLCBFNRHDYIR-UHFFFAOYSA-N
MW309.16 g/mol
LogP0.35
Rot. Bonds2

About N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane

N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane (PubChem CID 142439181) has the molecular formula C10H17BrN2O4 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane
PubChem CID142439181
Molecular FormulaC10H17BrN2O4
Molecular Weight309.16 g/mol
Exact Mass308.04
IUPAC NameN-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane
SMILESCC.CN1OC(=O)C(C(=O)NC2(Br)CC2)C1O
InChIInChI=1S/C8H11BrN2O4.C2H6/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8;1-2/h4,6,13H,2-3H2,1H3,(H,10,12);1-2H3
InChIKeyRGYLCBFNRHDYIR-UHFFFAOYSA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane?
The IUPAC name of N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane (CID 142439181) is N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane.
What is the SMILES notation for N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane?
The canonical SMILES for N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane is CC.CN1OC(=O)C(C(=O)NC2(Br)CC2)C1O.
What is the InChIKey of N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane?
The InChIKey is RGYLCBFNRHDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O4.C2H6/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8;1-2/h4,6,13H,2-3H2,1H3,(H,10,12);1-2H3.
What are the key properties of N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane?
N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane has a molecular weight of 309.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;ethane is sourced from PubChem (CID 142439181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).