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

C14H26N2O4 — CID 142439190

IUPACethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC.CN1OC(=O)C(C(=O)NC2(C)CCCCC2)C1O
InChIInChI=1S/C12H20N2O4.C2H6/c1-12(6-4-3-5-7-12)13-9(15)8-10(16)14(2)18-11(8)17;1-2/h8,10,16H,3-7H2,1-2H3,(H,13,15);1-2H3
InChIKeyIRGAFAZLRKZBFE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.19
Rot. Bonds2

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

ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439190) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Nameethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439190
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC.CN1OC(=O)C(C(=O)NC2(C)CCCCC2)C1O
InChIInChI=1S/C12H20N2O4.C2H6/c1-12(6-4-3-5-7-12)13-9(15)8-10(16)14(2)18-11(8)17;1-2/h8,10,16H,3-7H2,1-2H3,(H,13,15);1-2H3
InChIKeyIRGAFAZLRKZBFE-UHFFFAOYSA-N
XLogP1.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.19
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

N-(1,2-dimethylcyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439095
N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439096
formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439100
3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439101
N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439103
N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439114
N-hexyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439127
3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439138
3-hydroxy-N-(1-methylcyclopentyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439159
N-cycloheptyl-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439163
N-(1-cyanocyclopentyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439165
3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439183

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439190) is ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is CC.CN1OC(=O)C(C(=O)NC2(C)CCCCC2)C1O.
What is the InChIKey of ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is IRGAFAZLRKZBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4.C2H6/c1-12(6-4-3-5-7-12)13-9(15)8-10(16)14(2)18-11(8)17;1-2/h8,10,16H,3-7H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).