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

C12H16N2O4 — CID 142439114

IUPACN-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESC#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-2-12(6-4-3-5-7-12)13-9(15)8-10(16)14-18-11(8)17/h1,8,10,14,16H,3-7H2,(H,13,15)
InChIKeyDOLHUZQPFSQMCR-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.57
Rot. Bonds2

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

N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439114) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439114
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESC#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1
InChIInChI=1S/C12H16N2O4/c1-2-12(6-4-3-5-7-12)13-9(15)8-10(16)14-18-11(8)17/h1,8,10,14,16H,3-7H2,(H,13,15)
InChIKeyDOLHUZQPFSQMCR-UHFFFAOYSA-N
XLogP-0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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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Related Compounds

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
3-hydroxy-N-(1-methylcyclopentyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439159
ethane;3-hydroxy-2-methyl-N-(1-methylcyclohexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439190
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 N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439114) is N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is C#CC1(NC(=O)C2C(=O)ONC2O)CCCCC1.
What is the InChIKey of N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is DOLHUZQPFSQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-12(6-4-3-5-7-12)13-9(15)8-10(16)14-18-11(8)17/h1,8,10,14,16H,3-7H2,(H,13,15).
What are the key properties of N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethynylcyclohexyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).