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

C13H18N2O4 — CID 142439103

IUPACN-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESC#CC1(NC(=O)C2C(=O)ON(C)C2O)CCCCC1
InChIInChI=1S/C13H18N2O4/c1-3-13(7-5-4-6-8-13)14-10(16)9-11(17)15(2)19-12(9)18/h1,9,11,17H,4-8H2,2H3,(H,14,16)
InChIKeyVDADERNTMHWXNW-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.22
Rot. Bonds2

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

N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439103) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439103
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESC#CC1(NC(=O)C2C(=O)ON(C)C2O)CCCCC1
InChIInChI=1S/C13H18N2O4/c1-3-13(7-5-4-6-8-13)14-10(16)9-11(17)15(2)19-12(9)18/h1,9,11,17H,4-8H2,2H3,(H,14,16)
InChIKeyVDADERNTMHWXNW-UHFFFAOYSA-N
XLogP-0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439103) is N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is C#CC1(NC(=O)C2C(=O)ON(C)C2O)CCCCC1.
What is the InChIKey of N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is VDADERNTMHWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-13(7-5-4-6-8-13)14-10(16)9-11(17)15(2)19-12(9)18/h1,9,11,17H,4-8H2,2H3,(H,14,16).
What are the key properties of N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethynylcyclohexyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).