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

C14H17F2N3O2 — CID 50991322

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide
SMILESCC(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C14H17F2N3O2/c1-8(15)13(20)18-9-3-4-11(16)10(5-9)14(2)7-21-6-12(17)19-14/h3-5,8H,6-7H2,1-2H3,(H2,17,19)(H,18,20)/t8?,14-/m0/s1
InChIKeyZELLLWSPPGIJGO-OMXDBJJSSA-N
MW297.31 g/mol
LogP1.72
Rot. Bonds3

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

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide (PubChem CID 50991322) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide
PubChem CID50991322
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide
SMILESCC(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C14H17F2N3O2/c1-8(15)13(20)18-9-3-4-11(16)10(5-9)14(2)7-21-6-12(17)19-14/h3-5,8H,6-7H2,1-2H3,(H2,17,19)(H,18,20)/t8?,14-/m0/s1
InChIKeyZELLLWSPPGIJGO-OMXDBJJSSA-N
XLogP1.72
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-fluoropropanamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide (CID 50991322) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide is CC(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-fluoropropanamide?
The InChIKey is ZELLLWSPPGIJGO-OMXDBJJSSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(15)13(20)18-9-3-4-11(16)10(5-9)14(2)7-21-6-12(17)19-14/h3-5,8H,6-7H2,1-2H3,(H2,17,19)(H,18,20)/t8?,14-/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-fluoropropanamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-fluoropropanamide has a molecular weight of 297.31 g/mol, XLogP of 1.72, 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-fluoropropanamide is sourced from PubChem (CID 50991322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).