N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide

C15H19F2N3O2 — CID 50991412

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C15H19F2N3O2/c1-14(2,17)13(21)19-9-4-5-11(16)10(6-9)15(3)8-22-7-12(18)20-15/h4-6H,7-8H2,1-3H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyMAEKJCRDHDAOEI-HNNXBMFYSA-N
MW311.33 g/mol
LogP2.11
Rot. Bonds3

About N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide (PubChem CID 50991412) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide
PubChem CID50991412
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C15H19F2N3O2/c1-14(2,17)13(21)19-9-4-5-11(16)10(6-9)15(3)8-22-7-12(18)20-15/h4-6H,7-8H2,1-3H3,(H2,18,20)(H,19,21)/t15-/m0/s1
InChIKeyMAEKJCRDHDAOEI-HNNXBMFYSA-N
XLogP2.11
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide (CID 50991412) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide?
The InChIKey is MAEKJCRDHDAOEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-14(2,17)13(21)19-9-4-5-11(16)10(6-9)15(3)8-22-7-12(18)20-15/h4-6H,7-8H2,1-3H3,(H2,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide has a molecular weight of 311.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 50991412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).