7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C15H12F2N2O2 — CID 134810618

IUPAC7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O
InChIInChI=1S/C15H12F2N2O2/c1-19-7-13-14(21-8-15(19)20)3-2-12(18-13)9-4-10(16)6-11(17)5-9/h2-6H,7-8H2,1H3
InChIKeyUWOCFVANCLATPB-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.38
Rot. Bonds1

About 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134810618) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134810618
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O
InChIInChI=1S/C15H12F2N2O2/c1-19-7-13-14(21-8-15(19)20)3-2-12(18-13)9-4-10(16)6-11(17)5-9/h2-6H,7-8H2,1H3
InChIKeyUWOCFVANCLATPB-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134810618) is 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is CN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O.
What is the InChIKey of 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is UWOCFVANCLATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-19-7-13-14(21-8-15(19)20)3-2-12(18-13)9-4-10(16)6-11(17)5-9/h2-6H,7-8H2,1H3.
What are the key properties of 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 290.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134810618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).