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

C17H16F2N2O3 — CID 134807994

IUPAC7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O
InChIInChI=1S/C17H16F2N2O3/c1-23-5-4-21-9-15-16(24-10-17(21)22)3-2-14(20-15)11-6-12(18)8-13(19)7-11/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyOAVAHHVVIIVRQE-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.39
Rot. Bonds4

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

7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134807994) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134807994
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O
InChIInChI=1S/C17H16F2N2O3/c1-23-5-4-21-9-15-16(24-10-17(21)22)3-2-14(20-15)11-6-12(18)8-13(19)7-11/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyOAVAHHVVIIVRQE-UHFFFAOYSA-N
XLogP2.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134807994) is 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COCCN1Cc2nc(-c3cc(F)cc(F)c3)ccc2OCC1=O.
What is the InChIKey of 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is OAVAHHVVIIVRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-23-5-4-21-9-15-16(24-10-17(21)22)3-2-14(20-15)11-6-12(18)8-13(19)7-11/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 334.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134807994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).