(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine

C16H15FN2O — CID 154715593

IUPAC(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESC[C@@H]1c2ncccc2N=C(c2ccccc2)O[C@@]1(C)F
InChIInChI=1S/C16H15FN2O/c1-11-14-13(9-6-10-18-14)19-15(20-16(11,2)17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-,16-/m1/s1
InChIKeyDJFPDCHCOPHRHE-BDJLRTHQSA-N
MW270.31 g/mol
LogP3.98
Rot. Bonds1

About (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine

(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine (PubChem CID 154715593) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine.

Molecular Properties

Compound Name(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
PubChem CID154715593
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESC[C@@H]1c2ncccc2N=C(c2ccccc2)O[C@@]1(C)F
InChIInChI=1S/C16H15FN2O/c1-11-14-13(9-6-10-18-14)19-15(20-16(11,2)17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-,16-/m1/s1
InChIKeyDJFPDCHCOPHRHE-BDJLRTHQSA-N
XLogP3.98
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine 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 (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The IUPAC name of (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine (CID 154715593) is (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine.
What is the SMILES notation for (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The canonical SMILES for (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine is C[C@@H]1c2ncccc2N=C(c2ccccc2)O[C@@]1(C)F.
What is the InChIKey of (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The InChIKey is DJFPDCHCOPHRHE-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-14-13(9-6-10-18-14)19-15(20-16(11,2)17)12-7-4-3-5-8-12/h3-11H,1-2H3/t11-,16-/m1/s1.
What are the key properties of (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
(4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine has a molecular weight of 270.31 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-fluoro-4,5-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine is sourced from PubChem (CID 154715593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).