(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H16N2O5 — CID 127044337

IUPAC(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCCO)cc2)C(=O)O1
InChIInChI=1S/C17H16N2O5/c20-11-5-3-1-2-4-6-13-7-9-14(10-8-13)19-12-15(16(21)18-23)24-17(19)22/h7-10,15,20,23H,3,5,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyBBSSYBXDSOJAQN-HNNXBMFYSA-N
MW328.32 g/mol
LogP0.64
Rot. Bonds4

About (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 127044337) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID127044337
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCCO)cc2)C(=O)O1
InChIInChI=1S/C17H16N2O5/c20-11-5-3-1-2-4-6-13-7-9-14(10-8-13)19-12-15(16(21)18-23)24-17(19)22/h7-10,15,20,23H,3,5,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyBBSSYBXDSOJAQN-HNNXBMFYSA-N
XLogP0.64
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 127044337) is (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C(NO)[C@@H]1CN(c2ccc(C#CC#CCCCO)cc2)C(=O)O1.
What is the InChIKey of (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is BBSSYBXDSOJAQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-11-5-3-1-2-4-6-13-7-9-14(10-8-13)19-12-15(16(21)18-23)24-17(19)22/h7-10,15,20,23H,3,5,11-12H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-hydroxy-3-[4-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.64, 4 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-(7-hydroxyhepta-1,3-diynyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 127044337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).