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

C14H14F5N3O2 — CID 50991319

IUPACN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide
SMILESC[C@@]1(c2cc(NC(=O)C(F)(F)C(F)F)ccc2F)COCC(N)=N1
InChIInChI=1S/C14H14F5N3O2/c1-13(6-24-5-10(20)22-13)8-4-7(2-3-9(8)15)21-12(23)14(18,19)11(16)17/h2-4,11H,5-6H2,1H3,(H2,20,22)(H,21,23)/t13-/m0/s1
InChIKeyUNUOKFFBJINEQA-ZDUSSCGKSA-N
MW351.28 g/mol
LogP2.27
Rot. Bonds4

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

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 50991319) has the molecular formula C14H14F5N3O2 and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID50991319
Molecular FormulaC14H14F5N3O2
Molecular Weight351.28 g/mol
Exact Mass351.10
IUPAC NameN-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide
SMILESC[C@@]1(c2cc(NC(=O)C(F)(F)C(F)F)ccc2F)COCC(N)=N1
InChIInChI=1S/C14H14F5N3O2/c1-13(6-24-5-10(20)22-13)8-4-7(2-3-9(8)15)21-12(23)14(18,19)11(16)17/h2-4,11H,5-6H2,1H3,(H2,20,22)(H,21,23)/t13-/m0/s1
InChIKeyUNUOKFFBJINEQA-ZDUSSCGKSA-N
XLogP2.27
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide (CID 50991319) is N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide is C[C@@]1(c2cc(NC(=O)C(F)(F)C(F)F)ccc2F)COCC(N)=N1.
What is the InChIKey of N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is UNUOKFFBJINEQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F5N3O2/c1-13(6-24-5-10(20)22-13)8-4-7(2-3-9(8)15)21-12(23)14(18,19)11(16)17/h2-4,11H,5-6H2,1H3,(H2,20,22)(H,21,23)/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]-2,2,3,3-tetrafluoropropanamide?
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 351.28 g/mol, XLogP of 2.27, 4 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]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 50991319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).