(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine

C16H15FN2O — CID 154715025

IUPAC(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESCc1ccc2c(n1)C[C@](C)(F)OC(c1ccccc1)=N2
InChIInChI=1S/C16H15FN2O/c1-11-8-9-13-14(18-11)10-16(2,17)20-15(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3/t16-/m1/s1
InChIKeyGLRPCCSVMDUDRE-MRXNPFEDSA-N
MW270.31 g/mol
LogP3.73
Rot. Bonds1

About (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine

(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine (PubChem CID 154715025) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine.

Molecular Properties

Compound Name(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
PubChem CID154715025
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESCc1ccc2c(n1)C[C@](C)(F)OC(c1ccccc1)=N2
InChIInChI=1S/C16H15FN2O/c1-11-8-9-13-14(18-11)10-16(2,17)20-15(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3/t16-/m1/s1
InChIKeyGLRPCCSVMDUDRE-MRXNPFEDSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The IUPAC name of (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine (CID 154715025) is (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine.
What is the SMILES notation for (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The canonical SMILES for (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine is Cc1ccc2c(n1)C[C@](C)(F)OC(c1ccccc1)=N2.
What is the InChIKey of (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
The InChIKey is GLRPCCSVMDUDRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-8-9-13-14(18-11)10-16(2,17)20-15(19-13)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine?
(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine has a molecular weight of 270.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine is sourced from PubChem (CID 154715025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).