N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

C12H20N2O4 — CID 142439163

IUPACN-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2CCCCCC2)C1O
InChIInChI=1S/C12H20N2O4/c1-14-11(16)9(12(17)18-14)10(15)13-8-6-4-2-3-5-7-8/h8-9,11,16H,2-7H2,1H3,(H,13,15)
InChIKeyVLCGXLVWBJFKRU-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.16
Rot. Bonds2

About N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide

N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439163) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439163
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2CCCCCC2)C1O
InChIInChI=1S/C12H20N2O4/c1-14-11(16)9(12(17)18-14)10(15)13-8-6-4-2-3-5-7-8/h8-9,11,16H,2-7H2,1H3,(H,13,15)
InChIKeyVLCGXLVWBJFKRU-UHFFFAOYSA-N
XLogP0.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439163) is N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2CCCCCC2)C1O.
What is the InChIKey of N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is VLCGXLVWBJFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14-11(16)9(12(17)18-14)10(15)13-8-6-4-2-3-5-7-8/h8-9,11,16H,2-7H2,1H3,(H,13,15).
What are the key properties of N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).