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

C12H20N2O6 — CID 142439100

IUPACformic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1(NC(=O)C2C(=O)ONC2O)CCCCC1.O=CO
InChIInChI=1S/C11H18N2O4.CH2O2/c1-11(5-3-2-4-6-11)12-8(14)7-9(15)13-17-10(7)16;2-1-3/h7,9,13,15H,2-6H2,1H3,(H,12,14);1H,(H,2,3)
InChIKeyXNJJVPKWUBGJAJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.48
Rot. Bonds2

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

formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439100) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439100
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Nameformic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1(NC(=O)C2C(=O)ONC2O)CCCCC1.O=CO
InChIInChI=1S/C11H18N2O4.CH2O2/c1-11(5-3-2-4-6-11)12-8(14)7-9(15)13-17-10(7)16;2-1-3/h7,9,13,15H,2-6H2,1H3,(H,12,14);1H,(H,2,3)
InChIKeyXNJJVPKWUBGJAJ-UHFFFAOYSA-N
XLogP-0.48
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide with MolForge

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Related Compounds

N-(1-cyanocyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439096
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
3-hydroxy-N-(1-methylcyclopentyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439159
3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439183
3-hydroxy-2-methyl-N-(1-methylcyclopentyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439186
ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439190
2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid
CID 142439204
3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439191

Frequently Asked Questions

What is the IUPAC name of formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439100) is formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is CC1(NC(=O)C2C(=O)ONC2O)CCCCC1.O=CO.
What is the InChIKey of formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is XNJJVPKWUBGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4.CH2O2/c1-11(5-3-2-4-6-11)12-8(14)7-9(15)13-17-10(7)16;2-1-3/h7,9,13,15H,2-6H2,1H3,(H,12,14);1H,(H,2,3).
What are the key properties of formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 288.30 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-hydroxy-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).