[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium

C17H19N4O2+ — CID 177247454

IUPAC[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium
SMILESC=C=[N+]=C(/C=C\C)CNc1cc(-c2c(C)noc2C)c[nH]c1=O
InChIInChI=1S/C17H18N4O2/c1-5-7-14(18-6-2)10-19-15-8-13(9-20-17(15)22)16-11(3)21-23-12(16)4/h5,7-9,19H,2,10H2,1,3-4H3/p+1/b7-5-
InChIKeyYMXYKUBUQQHPMF-ALCCZGGFSA-O
MW311.37 g/mol
LogP2.00
Rot. Bonds5

About [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium

[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium (PubChem CID 177247454) has the molecular formula C17H19N4O2+ and a molecular weight of 311.37 g/mol. Its IUPAC name is [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium.

Molecular Properties

Compound Name[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium
PubChem CID177247454
Molecular FormulaC17H19N4O2+
Molecular Weight311.37 g/mol
Exact Mass311.15
IUPAC Name[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium
SMILESC=C=[N+]=C(/C=C\C)CNc1cc(-c2c(C)noc2C)c[nH]c1=O
InChIInChI=1S/C17H18N4O2/c1-5-7-14(18-6-2)10-19-15-8-13(9-20-17(15)22)16-11(3)21-23-12(16)4/h5,7-9,19H,2,10H2,1,3-4H3/p+1/b7-5-
InChIKeyYMXYKUBUQQHPMF-ALCCZGGFSA-O
XLogP2.00
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium?
The IUPAC name of [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium (CID 177247454) is [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium.
What is the SMILES notation for [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium?
The canonical SMILES for [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium is C=C=[N+]=C(/C=C\C)CNc1cc(-c2c(C)noc2C)c[nH]c1=O.
What is the InChIKey of [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium?
The InChIKey is YMXYKUBUQQHPMF-ALCCZGGFSA-O. The full InChI is InChI=1S/C17H18N4O2/c1-5-7-14(18-6-2)10-19-15-8-13(9-20-17(15)22)16-11(3)21-23-12(16)4/h5,7-9,19H,2,10H2,1,3-4H3/p+1/b7-5-.
What are the key properties of [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium?
[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium has a molecular weight of 311.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium is sourced from PubChem (CID 177247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).