1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline

C25H32FN5O2 — CID 143987807

IUPAC1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline
SMILESCCNC1=NCCO/C1=C\c1cccc(OC)c1.Cc1cn(C)cn1.Nc1ccc(F)cc1
InChIInChI=1S/C14H18N2O2.C6H6FN.C5H8N2/c1-3-15-14-13(18-8-7-16-14)10-11-5-4-6-12(9-11)17-2;7-5-1-3-6(8)4-2-5;1-5-3-7(2)4-6-5/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16);1-4H,8H2;3-4H,1-2H3/b13-10-;;
InChIKeyVESREMFEKFFLFE-CAPVWHLOSA-N
MW453.56 g/mol
LogP4.21
Rot. Bonds3

About 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline

1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline (PubChem CID 143987807) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline.

Molecular Properties

Compound Name1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline
PubChem CID143987807
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline
SMILESCCNC1=NCCO/C1=C\c1cccc(OC)c1.Cc1cn(C)cn1.Nc1ccc(F)cc1
InChIInChI=1S/C14H18N2O2.C6H6FN.C5H8N2/c1-3-15-14-13(18-8-7-16-14)10-11-5-4-6-12(9-11)17-2;7-5-1-3-6(8)4-2-5;1-5-3-7(2)4-6-5/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16);1-4H,8H2;3-4H,1-2H3/b13-10-;;
InChIKeyVESREMFEKFFLFE-CAPVWHLOSA-N
XLogP4.21
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 110275301
(2E)-7-amino-4-(3-hydroxypropyl)-2-[(3-methoxyphenyl)methylidene]-1,4-benzoxazin-3-one
CID 28864372
(4E)-7-fluoro-4-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one
CID 24650425
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936270
(10Z)-5-[(4-fluorophenyl)methyl]-10-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3,7,8-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazepin-4-one
CID 143987623
(2E)-7-amino-2-[(3-methoxyphenyl)methylidene]-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 28864385
(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70294296
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
CID 20530618
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
2-[(2E)-6-amino-2-[(3-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N,N-dimethylacetamide
CID 28864438
(2E)-4-(3-aminopropyl)-2-[(3-methoxyphenyl)methylidene]-1,4-benzoxazin-3-one
CID 28864361
ethane;N-ethyl-3-methoxyaniline
CID 142222302

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline?
The IUPAC name of 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline (CID 143987807) is 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline.
What is the SMILES notation for 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline?
The canonical SMILES for 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline is CCNC1=NCCO/C1=C\c1cccc(OC)c1.Cc1cn(C)cn1.Nc1ccc(F)cc1.
What is the InChIKey of 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline?
The InChIKey is VESREMFEKFFLFE-CAPVWHLOSA-N. The full InChI is InChI=1S/C14H18N2O2.C6H6FN.C5H8N2/c1-3-15-14-13(18-8-7-16-14)10-11-5-4-6-12(9-11)17-2;7-5-1-3-6(8)4-2-5;1-5-3-7(2)4-6-5/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16);1-4H,8H2;3-4H,1-2H3/b13-10-;;.
What are the key properties of 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline?
1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline has a molecular weight of 453.56 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;(6Z)-N-ethyl-6-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1,4-oxazin-5-amine;4-fluoroaniline is sourced from PubChem (CID 143987807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).