2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide

C14H17FN4O2 — CID 142363811

IUPAC2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)/C(N)=N/C1=NCCOC1c1ccccc1F
InChIInChI=1S/C14H17FN4O2/c1-19(2)14(20)12(16)18-13-11(21-8-7-17-13)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyYSFRFWQVCZFJEB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.74
Rot. Bonds1

About 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide

2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide (PubChem CID 142363811) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide
PubChem CID142363811
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)/C(N)=N/C1=NCCOC1c1ccccc1F
InChIInChI=1S/C14H17FN4O2/c1-19(2)14(20)12(16)18-13-11(21-8-7-17-13)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyYSFRFWQVCZFJEB-UHFFFAOYSA-N
XLogP0.74
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
CID 134577434
1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
CID 120671550
(3,3-difluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone
CID 134563925
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
CID 70437653
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
6-[2-(2-fluorophenyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 133343718
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2912658
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide?
The IUPAC name of 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide (CID 142363811) is 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide?
The canonical SMILES for 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide is CN(C)C(=O)/C(N)=N/C1=NCCOC1c1ccccc1F.
What is the InChIKey of 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide?
The InChIKey is YSFRFWQVCZFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-19(2)14(20)12(16)18-13-11(21-8-7-17-13)9-5-3-4-6-10(9)15/h3-6,11H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide?
2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide has a molecular weight of 292.31 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[6-(2-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]imino]-N,N-dimethylacetamide is sourced from PubChem (CID 142363811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).