N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide

C16H21N3O2 — CID 158289262

IUPACN'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1
InChIInChI=1S/C16H21N3O2/c1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17/h5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20)/b14-10-
InChIKeyIVUWPFGYIDJCFE-UVTDQMKNSA-N
MW287.36 g/mol
LogP1.97
Rot. Bonds5

About N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide

N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide (PubChem CID 158289262) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
PubChem CID158289262
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1
InChIInChI=1S/C16H21N3O2/c1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17/h5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20)/b14-10-
InChIKeyIVUWPFGYIDJCFE-UVTDQMKNSA-N
XLogP1.97
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide (CID 158289262) is N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide is C/C(N)=N\CCCC1NC(=O)/C(=C/c2ccc(C)cc2)O1.
What is the InChIKey of N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
The InChIKey is IVUWPFGYIDJCFE-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-5-7-13(8-6-11)10-14-16(20)19-15(21-14)4-3-9-18-12(2)17/h5-8,10,15H,3-4,9H2,1-2H3,(H2,17,18)(H,19,20)/b14-10-.
What are the key properties of N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide?
N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide has a molecular weight of 287.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 158289262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).