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

C14H24N2O5 — CID 142439204

IUPAC2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid
SMILESCC1C(C(=O)NC2(C)CCCCC2)C(=O)ON1C.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-9-10(12(17)18-15(9)3)11(16)14-13(2)7-5-4-6-8-13;2-1-3/h9-10H,4-8H2,1-3H3,(H,14,16);1H,(H,2,3)
InChIKeySOAQSLHVVPENAT-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.93
Rot. Bonds2

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

2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid (PubChem CID 142439204) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid
PubChem CID142439204
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid
SMILESCC1C(C(=O)NC2(C)CCCCC2)C(=O)ON1C.O=CO
InChIInChI=1S/C13H22N2O3.CH2O2/c1-9-10(12(17)18-15(9)3)11(16)14-13(2)7-5-4-6-8-13;2-1-3/h9-10H,4-8H2,1-3H3,(H,14,16);1H,(H,2,3)
InChIKeySOAQSLHVVPENAT-UHFFFAOYSA-N
XLogP0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid?
The IUPAC name of 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid (CID 142439204) is 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid.
What is the SMILES notation for 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid?
The canonical SMILES for 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid is CC1C(C(=O)NC2(C)CCCCC2)C(=O)ON1C.O=CO.
What is the InChIKey of 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid?
The InChIKey is SOAQSLHVVPENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.CH2O2/c1-9-10(12(17)18-15(9)3)11(16)14-13(2)7-5-4-6-8-13;2-1-3/h9-10H,4-8H2,1-3H3,(H,14,16);1H,(H,2,3).
What are the key properties of 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid?
2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid has a molecular weight of 300.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide;formic acid is sourced from PubChem (CID 142439204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).