(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H14N2O5 — CID 127044183

IUPAC(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCO)cc2)C(=O)O1
InChIInChI=1S/C16H14N2O5/c19-10-4-2-1-3-5-12-6-8-13(9-7-12)18-11-14(15(20)17-22)23-16(18)21/h6-9,14,19,22H,4,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyVUVLELOWABJCNV-AWEZNQCLSA-N
MW314.30 g/mol
LogP0.25
Rot. Bonds3

About (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 127044183) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID127044183
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCO)cc2)C(=O)O1
InChIInChI=1S/C16H14N2O5/c19-10-4-2-1-3-5-12-6-8-13(9-7-12)18-11-14(15(20)17-22)23-16(18)21/h6-9,14,19,22H,4,10-11H2,(H,17,20)/t14-/m0/s1
InChIKeyVUVLELOWABJCNV-AWEZNQCLSA-N
XLogP0.25
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 127044183) is (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCO)cc2)C(=O)O1.
What is the InChIKey of (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is VUVLELOWABJCNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N2O5/c19-10-4-2-1-3-5-12-6-8-13(9-7-12)18-11-14(15(20)17-22)23-16(18)21/h6-9,14,19,22H,4,10-11H2,(H,17,20)/t14-/m0/s1.
What are the key properties of (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-hydroxy-3-[4-(6-hydroxyhexa-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 127044183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).