(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine

C17H18FN3O — CID 70307107

IUPAC(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(N)ccc2F)CO[C@H](c2ccccc2)C(N)=N1
InChIInChI=1S/C17H18FN3O/c1-17(13-9-12(19)7-8-14(13)18)10-22-15(16(20)21-17)11-5-3-2-4-6-11/h2-9,15H,10,19H2,1H3,(H2,20,21)/t15-,17+/m1/s1
InChIKeyLBBOCIJPFRZACV-WBVHZDCISA-N
MW299.35 g/mol
LogP2.75
Rot. Bonds2

About (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine

(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 70307107) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID70307107
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(N)ccc2F)CO[C@H](c2ccccc2)C(N)=N1
InChIInChI=1S/C17H18FN3O/c1-17(13-9-12(19)7-8-14(13)18)10-22-15(16(20)21-17)11-5-3-2-4-6-11/h2-9,15H,10,19H2,1H3,(H2,20,21)/t15-,17+/m1/s1
InChIKeyLBBOCIJPFRZACV-WBVHZDCISA-N
XLogP2.75
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine (CID 70307107) is (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine is C[C@@]1(c2cc(N)ccc2F)CO[C@H](c2ccccc2)C(N)=N1.
What is the InChIKey of (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is LBBOCIJPFRZACV-WBVHZDCISA-N. The full InChI is InChI=1S/C17H18FN3O/c1-17(13-9-12(19)7-8-14(13)18)10-22-15(16(20)21-17)11-5-3-2-4-6-11/h2-9,15H,10,19H2,1H3,(H2,20,21)/t15-,17+/m1/s1.
What are the key properties of (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine?
(2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 299.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2-phenyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 70307107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).