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

C13H11FN2OS — CID 154715591

IUPAC(4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESC[C@]1(F)Cc2ncccc2N=C(c2ccsc2)O1
InChIInChI=1S/C13H11FN2OS/c1-13(14)7-11-10(3-2-5-15-11)16-12(17-13)9-4-6-18-8-9/h2-6,8H,7H2,1H3/t13-/m1/s1
InChIKeyUZDQTDKZQGLUIW-CYBMUJFWSA-N
MW262.31 g/mol
LogP3.48
Rot. Bonds1

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

(4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine (PubChem CID 154715591) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine.

Molecular Properties

Compound Name(4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine
PubChem CID154715591
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine
SMILESC[C@]1(F)Cc2ncccc2N=C(c2ccsc2)O1
InChIInChI=1S/C13H11FN2OS/c1-13(14)7-11-10(3-2-5-15-11)16-12(17-13)9-4-6-18-8-9/h2-6,8H,7H2,1H3/t13-/m1/s1
InChIKeyUZDQTDKZQGLUIW-CYBMUJFWSA-N
XLogP3.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine?
The IUPAC name of (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine (CID 154715591) is (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine.
What is the SMILES notation for (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine?
The canonical SMILES for (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine is C[C@]1(F)Cc2ncccc2N=C(c2ccsc2)O1.
What is the InChIKey of (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine?
The InChIKey is UZDQTDKZQGLUIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-13(14)7-11-10(3-2-5-15-11)16-12(17-13)9-4-6-18-8-9/h2-6,8H,7H2,1H3/t13-/m1/s1.
What are the key properties of (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine?
(4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine has a molecular weight of 262.31 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-4-methyl-2-thiophen-3-yl-5H-pyrido[3,2-d][1,3]oxazepine is sourced from PubChem (CID 154715591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).