4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C23H21FN2O3 — CID 134786442

IUPAC4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C23H21FN2O3/c1-16-10-11-21-22(25-16)29-20(15-28-19-8-3-2-4-9-19)14-26(23(21)27)13-17-6-5-7-18(24)12-17/h2-12,20H,13-15H2,1H3
InChIKeyLUOQCQLXAKDCAZ-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.01
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786442) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786442
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C23H21FN2O3/c1-16-10-11-21-22(25-16)29-20(15-28-19-8-3-2-4-9-19)14-26(23(21)27)13-17-6-5-7-18(24)12-17/h2-12,20H,13-15H2,1H3
InChIKeyLUOQCQLXAKDCAZ-UHFFFAOYSA-N
XLogP4.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786442) is 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is Cc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1cccc(F)c1)C2=O.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is LUOQCQLXAKDCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-16-10-11-21-22(25-16)29-20(15-28-19-8-3-2-4-9-19)14-26(23(21)27)13-17-6-5-7-18(24)12-17/h2-12,20H,13-15H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 392.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).