N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide

C14H17N3O2 — CID 15724068

IUPACN'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCCC1(/N=C/N(C)C)C(=O)ON=C1c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-4-14(15-10-17(2)3)12(16-19-13(14)18)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b15-10+
InChIKeyGIHCIXGUXBWMIX-XNTDXEJSSA-N
MW259.31 g/mol
LogP1.69
Rot. Bonds4

About N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide

N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 15724068) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide
PubChem CID15724068
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide
SMILESCCC1(/N=C/N(C)C)C(=O)ON=C1c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-4-14(15-10-17(2)3)12(16-19-13(14)18)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b15-10+
InChIKeyGIHCIXGUXBWMIX-XNTDXEJSSA-N
XLogP1.69
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide (CID 15724068) is N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide is CCC1(/N=C/N(C)C)C(=O)ON=C1c1ccccc1.
What is the InChIKey of N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is GIHCIXGUXBWMIX-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-14(15-10-17(2)3)12(16-19-13(14)18)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3/b15-10+.
What are the key properties of N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide?
N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 259.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 15724068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).