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

C14H16F3N3O2 — CID 50991410

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C14H16F3N3O2/c1-13(7-22-6-11(18)20-13)9-5-8(3-4-10(9)15)19-12(21)14(2,16)17/h3-5H,6-7H2,1-2H3,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyXGQIPXLZNPYVJL-ZDUSSCGKSA-N
MW315.30 g/mol
LogP2.02
Rot. Bonds3

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

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide (PubChem CID 50991410) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide
PubChem CID50991410
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1
InChIInChI=1S/C14H16F3N3O2/c1-13(7-22-6-11(18)20-13)9-5-8(3-4-10(9)15)19-12(21)14(2,16)17/h3-5H,6-7H2,1-2H3,(H2,18,20)(H,19,21)/t13-/m0/s1
InChIKeyXGQIPXLZNPYVJL-ZDUSSCGKSA-N
XLogP2.02
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.02
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]-2,2-difluoropropanamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide (CID 50991410) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide is CC(F)(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]-2,2-difluoropropanamide?
The InChIKey is XGQIPXLZNPYVJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-13(7-22-6-11(18)20-13)9-5-8(3-4-10(9)15)19-12(21)14(2,16)17/h3-5H,6-7H2,1-2H3,(H2,18,20)(H,19,21)/t13-/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]-2,2-difluoropropanamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide has a molecular weight of 315.30 g/mol, XLogP of 2.02, 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]-2,2-difluoropropanamide is sourced from PubChem (CID 50991410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).