(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine

C16H15FN2O2 — CID 154715475

IUPAC(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESCOc1ccc(C2=Nc3cccnc3C[C@](C)(F)O2)cc1
InChIInChI=1S/C16H15FN2O2/c1-16(17)10-14-13(4-3-9-18-14)19-15(21-16)11-5-7-12(20-2)8-6-11/h3-9H,10H2,1-2H3/t16-/m1/s1
InChIKeyYJDNEBNEOAEHGK-MRXNPFEDSA-N
MW286.31 g/mol
LogP3.43
Rot. Bonds2

About (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine

(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine (PubChem CID 154715475) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine.

Molecular Properties

Compound Name(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine
PubChem CID154715475
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESCOc1ccc(C2=Nc3cccnc3C[C@](C)(F)O2)cc1
InChIInChI=1S/C16H15FN2O2/c1-16(17)10-14-13(4-3-9-18-14)19-15(21-16)11-5-7-12(20-2)8-6-11/h3-9H,10H2,1-2H3/t16-/m1/s1
InChIKeyYJDNEBNEOAEHGK-MRXNPFEDSA-N
XLogP3.43
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
Cb-103
CID 2735289
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
2-(4-Butoxyphenyl)pyridine
CID 11322128
2-(4-Butoxy-phenyl)-pyrazine
CID 11345209
3-(2,4,6-Trimethoxybenzylidene)anabaseine
CID 11595246
3-(4-Methoxybenzylidene)anabaseine
CID 11601561

Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine?
The IUPAC name of (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine (CID 154715475) is (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine.
What is the SMILES notation for (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine?
The canonical SMILES for (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine is COc1ccc(C2=Nc3cccnc3C[C@](C)(F)O2)cc1.
What is the InChIKey of (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine?
The InChIKey is YJDNEBNEOAEHGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-16(17)10-14-13(4-3-9-18-14)19-15(21-16)11-5-7-12(20-2)8-6-11/h3-9H,10H2,1-2H3/t16-/m1/s1.
What are the key properties of (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine?
(4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine has a molecular weight of 286.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-2-(4-methoxyphenyl)-4-methyl-5H-pyrido[3,2-d][1,3]oxazepine is sourced from PubChem (CID 154715475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).