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

C11H20N2O4 — CID 142439183

IUPAC3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCCCC(C)CCNC(=O)C1C(=O)ONC1O
InChIInChI=1S/C11H20N2O4/c1-3-4-7(2)5-6-12-9(14)8-10(15)13-17-11(8)16/h7-8,10,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeySKOLPERZZWCAMV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.08
Rot. Bonds6

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

3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439183) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439183
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCCCC(C)CCNC(=O)C1C(=O)ONC1O
InChIInChI=1S/C11H20N2O4/c1-3-4-7(2)5-6-12-9(14)8-10(15)13-17-11(8)16/h7-8,10,13,15H,3-6H2,1-2H3,(H,12,14)
InChIKeySKOLPERZZWCAMV-UHFFFAOYSA-N
XLogP-0.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439183) is 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is CCCC(C)CCNC(=O)C1C(=O)ONC1O.
What is the InChIKey of 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is SKOLPERZZWCAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-4-7(2)5-6-12-9(14)8-10(15)13-17-11(8)16/h7-8,10,13,15H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methylhexyl)-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).