N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

C8H11ClN2O4 — CID 142439150

IUPACN-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(Cl)CC2)C1O
InChIInChI=1S/C8H11ClN2O4/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8/h4,6,13H,2-3H2,1H3,(H,10,12)
InChIKeyDZINRIFNDDGAGB-UHFFFAOYSA-N
MW234.64 g/mol
LogP-0.83
Rot. Bonds2

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

N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439150) has the molecular formula C8H11ClN2O4 and a molecular weight of 234.64 g/mol. Its IUPAC name is N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439150
Molecular FormulaC8H11ClN2O4
Molecular Weight234.64 g/mol
Exact Mass234.04
IUPAC NameN-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(Cl)CC2)C1O
InChIInChI=1S/C8H11ClN2O4/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8/h4,6,13H,2-3H2,1H3,(H,10,12)
InChIKeyDZINRIFNDDGAGB-UHFFFAOYSA-N
XLogP-0.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 5-0.83
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-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439150) is N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2(Cl)CC2)C1O.
What is the InChIKey of N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is DZINRIFNDDGAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4/c1-11-6(13)4(7(14)15-11)5(12)10-8(9)2-3-8/h4,6,13H,2-3H2,1H3,(H,10,12).
What are the key properties of N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 234.64 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).